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

C17H15ClN2O3 — CID 142641273

IUPAC3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol
SMILESCOc1cc2nccc(N(Cl)c3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H15ClN2O3/c1-22-16-9-13-14(10-17(16)23-2)19-7-6-15(13)20(18)11-4-3-5-12(21)8-11/h3-10,21H,1-2H3
InChIKeyNGJLHKOAJXZRAF-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.25
Rot. Bonds4

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

3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol (PubChem CID 142641273) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol
PubChem CID142641273
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol
SMILESCOc1cc2nccc(N(Cl)c3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H15ClN2O3/c1-22-16-9-13-14(10-17(16)23-2)19-7-6-15(13)20(18)11-4-3-5-12(21)8-11/h3-10,21H,1-2H3
InChIKeyNGJLHKOAJXZRAF-UHFFFAOYSA-N
XLogP4.25
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-[(6,7-dimethoxyquinazolin-4-yl)-methylamino]phenol
CID 127034132
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
methane;4,6,7-trimethoxyquinoline
CID 157066291
7-ethoxy-6-methoxy-N,N-dimethylquinolin-4-amine
CID 58208321
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(3-hydroxyphenyl)pentane-2,4-dione
CID 58249480
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
2-[3-(6,7-dimethoxyquinolin-4-yl)propyl-(2-hydroxyethyl)amino]ethanol
CID 21424705
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol?
The IUPAC name of 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol (CID 142641273) is 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol?
The canonical SMILES for 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol is COc1cc2nccc(N(Cl)c3cccc(O)c3)c2cc1OC.
What is the InChIKey of 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol?
The InChIKey is NGJLHKOAJXZRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-22-16-9-13-14(10-17(16)23-2)19-7-6-15(13)20(18)11-4-3-5-12(21)8-11/h3-10,21H,1-2H3.
What are the key properties of 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol?
3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol has a molecular weight of 330.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(6,7-dimethoxyquinolin-4-yl)amino]phenol is sourced from PubChem (CID 142641273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).