4-Chloro-7-methoxyquinoline

C₁₀H₈ClNOCAS 68500-37-8193.63 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₀H₈ClNO
Molar mass: 193.63 g/mol
Exact mass: 193.0294 Da
logP: 2.90Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed92.9% of notifiers
H318 Causes serious eye damage92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

68500-37-8

SMILES

COC1=CC2=NC=CC(=C2C=C1)Cl

InChIKey

UKTYNFPTZDSBLR-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3

Weigh it out

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

Work with 4-Chloro-7-methoxyquinoline

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-6,7-dimethoxyquinoline35654-56-964 % similar 4,7-Dichloroquinoline86-98-662 % similar 4-Chloro-7-methoxyquinazoline55496-52-158 % similar 7-(Benzyloxy)-4-chloroquinoline178984-56-057 % similar 4-Chloro-6-methoxyquinolin-7-ol205448-31-356 % similar 7-Bromo-4-chloroquinoline75090-52-754 % similar 4-Chloro-7-methoxy-2-phenylquinoline189816-05-553 % similar 6-Methoxy-4-methylquinoline41037-26-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Chloromethyl)-2-phenyl-1,3-oxazole30494-97-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook