N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide

C19H17ClN2O4 — CID 18698657

IUPACN-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(OCCO)cc2c1=O
InChIInChI=1S/C19H17ClN2O4/c20-13-3-1-12(2-4-13)10-22-19(25)16-11-21-17-6-5-14(26-8-7-23)9-15(17)18(16)24/h1-6,9,11,23H,7-8,10H2,(H,21,24)(H,22,25)
InChIKeyOURAFKZAVBVIHG-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.48
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18698657) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18698657
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(OCCO)cc2c1=O
InChIInChI=1S/C19H17ClN2O4/c20-13-3-1-12(2-4-13)10-22-19(25)16-11-21-17-6-5-14(26-8-7-23)9-15(17)18(16)24/h1-6,9,11,23H,7-8,10H2,(H,21,24)(H,22,25)
InChIKeyOURAFKZAVBVIHG-UHFFFAOYSA-N
XLogP2.48
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide 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-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
6-chloro-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 18473143
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
7-chloro-N-[[4-(methylaminomethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473034
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
N-[(4-chlorophenyl)methyl]-2-(5-hydroxypentyl)-4-oxo-7H-furo[2,3-b]pyridine-5-carboxamide
CID 142265619
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
CID 22722030
N-[(4-chlorophenyl)methyl]-6-fluoro-7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 10363006

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide (CID 18698657) is N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(OCCO)cc2c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is OURAFKZAVBVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-13-3-1-12(2-4-13)10-22-19(25)16-11-21-17-6-5-14(26-8-7-23)9-15(17)18(16)24/h1-6,9,11,23H,7-8,10H2,(H,21,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18698657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).