Rutecarpine

C₁₈H₁₃N₃OCAS 84-26-4287.32 g/mol

Properties

Molecular formula: C₁₈H₁₃N₃O
Molar mass: 287.32 g/mol
Exact mass: 287.1059 Da
Melting point: 260 °C
Boiling point: 209 °C
logP: 3.10Crippen estimate
Polar surface area: 50.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Not classified as hazardous under GHS by 40 ECHA notifiers. Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

84-26-4

SMILES

O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12

InChIKey

ACVGWSKVRYFWRP-UHFFFAOYSA-N

InChI

InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro-
8,13-Dihydroindolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Rutaecarpine
Rhetine
NSC 258317
3,13,21-Triazapentacyclo[11.8.0.0[2,10].0[4,9].0[15,20]]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one

Work with Rutecarpine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3,4-Tetrahydrocarbazole942-01-836 % similar 6,7,8,9,10,11-Hexahydro-5H-cycloocta[B]indole22793-63-135 % similar 2-Methyl-3-amino-4-quinazolone1898-06-235 % similar Tryptoline16502-01-533 % similar 2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one26059-81-432 % similar 2-Phenylindole-3-acetonitrile27005-52-332 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-232 % similar 1,7-Bis(9-acridinyl)heptane141946-28-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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