4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile

C18H14ClN3O2 — CID 118955568

IUPAC4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NCc1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H14ClN3O2/c1-24-17-6-11(9-20)2-4-16(17)21-10-13-7-12-8-14(19)3-5-15(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)
InChIKeyHCZKGKHYRPTOOB-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.67
Rot. Bonds4

About 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile

4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile (PubChem CID 118955568) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile
PubChem CID118955568
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NCc1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C18H14ClN3O2/c1-24-17-6-11(9-20)2-4-16(17)21-10-13-7-12-8-14(19)3-5-15(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23)
InChIKeyHCZKGKHYRPTOOB-UHFFFAOYSA-N
XLogP3.67
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile 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

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
4-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955554
4-((6-Chloro-8-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)methylamino)-2-methoxybenzonitrile
CID 118955589
4-((6-Chloro-8-(2-morpholinoethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)methylamino)-2-methoxybenzonitrile
CID 118955592
(S)-4-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-2-methoxy benzonitrile
CID 118955607
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-ethoxybenzonitrile
CID 118955611
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-2-(trifluoromethoxy)benzonitrile
CID 118955743
6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 155547940
6-methoxy-3-[(2-methoxyanilino)methyl]-1H-quinolin-2-one
CID 939236
3-chloro-N-[(2-hydroxy-6-methoxyquinolin-3-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 16013012
1-(3-chlorobenzyl)-N-(2-ethoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 7599059
3-[(cyclohexylamino)methyl]-8-methoxy-1H-quinolin-2-one
CID 146001040

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile (CID 118955568) is 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile is COc1cc(C#N)ccc1NCc1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile?
The InChIKey is HCZKGKHYRPTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-24-17-6-11(9-20)2-4-16(17)21-10-13-7-12-8-14(19)3-5-15(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23).
What are the key properties of 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile?
4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile has a molecular weight of 339.78 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 118955568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).