3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride

C17H17ClN2O3 — CID 22646651

IUPAC3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
SMILESCOc1cc2nccc(Nc3cccc(O)c3)c2cc1OC.Cl
InChIInChI=1S/C17H16N2O3.ClH/c1-21-16-9-13-14(19-11-4-3-5-12(20)8-11)6-7-18-15(13)10-17(16)22-2;/h3-10,20H,1-2H3,(H,18,19);1H
InChIKeyHDCIZTUPEKAWLY-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.12
Rot. Bonds4

About 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride

3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride (PubChem CID 22646651) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
PubChem CID22646651
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
SMILESCOc1cc2nccc(Nc3cccc(O)c3)c2cc1OC.Cl
InChIInChI=1S/C17H16N2O3.ClH/c1-21-16-9-13-14(19-11-4-3-5-12(20)8-11)6-7-18-15(13)10-17(16)22-2;/h3-10,20H,1-2H3,(H,18,19);1H
InChIKeyHDCIZTUPEKAWLY-UHFFFAOYSA-N
XLogP4.12
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
4-(3-chloroanilino)-7-methoxyquinolin-6-ol
CID 25000015
6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
CID 67730198
3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol
CID 71217459
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 24999709
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
3-(2-methoxyanilino)phenol
CID 82537348
3-[(7-pyridin-4-ylquinolin-4-yl)amino]phenol
CID 44532315
N-(1H-indol-4-yl)-6,7-dimethoxyquinolin-4-amine
CID 139921584

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride (CID 22646651) is 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride is COc1cc2nccc(Nc3cccc(O)c3)c2cc1OC.Cl.
What is the InChIKey of 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is HDCIZTUPEKAWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.ClH/c1-21-16-9-13-14(19-11-4-3-5-12(20)8-11)6-7-18-15(13)10-17(16)22-2;/h3-10,20H,1-2H3,(H,18,19);1H.
What are the key properties of 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride?
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 332.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 22646651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).