N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

C18H16N2O3 — CID 18473067

IUPACN-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C18H16N2O3/c1-23-13-7-8-16-14(9-13)17(21)15(11-19-16)18(22)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyKYGMOKOAYWCRQO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.47
Rot. Bonds4

About N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide

N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 18473067) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID18473067
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C18H16N2O3/c1-23-13-7-8-16-14(9-13)17(21)15(11-19-16)18(22)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyKYGMOKOAYWCRQO-UHFFFAOYSA-N
XLogP2.47
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-6-methoxy-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

N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
6-(diethylsulfamoyl)-N-[(3-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141331217
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
5-methoxy-N-[(2-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205982
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-[(4-chlorophenyl)methyl]-6-(2-hydroxyethoxy)-4-oxo-1H-quinoline-3-carboxamide
CID 18698657
6-methoxy-4-oxo-1H-quinoline-3-carbonyl chloride
CID 172818183

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide (CID 18473067) is N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide is COc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2c1.
What is the InChIKey of N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is KYGMOKOAYWCRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-13-7-8-16-14(9-13)17(21)15(11-19-16)18(22)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide?
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18473067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).