6-Methoxy-8-Aminoquinoline

CAS: 90-52-8 | C10H10N2O

2D Structure

Loading 3D structure...

CAS Registry Number

90-52-8

SMILES

COc1cc(N)c2ncccc2c1

InChI Key

YGGTVPCTAKYCSQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	174.20 g/mol	CAS Common Chemistry
	174.20300000000003 g/mol	RDKit
	174.203 g/mol	RDKit
Canonical SMILES	N1=CC=CC2=CC(OC)=CC(N)=C12	CAS Common Chemistry
InChI	InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=YGGTVPCTAKYCSQ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	41 °C	CAS Common Chemistry
Name	6-Methoxy-8-aminoquinoline	CAS Common Chemistry
Heavy Atom Count	13	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	48.14 Å²	RDKit
	47.61 Å²	chempirical lib
LogP	1.8256	RDKit
Molar Refractivity	52.707400000000014 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1	RDKit
Exact Mass	174.07931294 g/mol	RDKit
Boiling Point	137-138 °C @ 1 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C10H10N2O.