N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide

C24H19N3O4 — CID 4907437

IUPACN-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
SMILESCc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19N3O4/c1-15-7-5-8-16(13-15)21-22(28)19-11-3-4-12-20(19)26(2)23(21)25-24(29)17-9-6-10-18(14-17)27(30)31/h3-14H,1-2H3,(H,25,29)
InChIKeyNFZYNSOKFUEMLM-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.67
Rot. Bonds4

About N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide

N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide (PubChem CID 4907437) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
PubChem CID4907437
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
SMILESCc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19N3O4/c1-15-7-5-8-16(13-15)21-22(28)19-11-3-4-12-20(19)26(2)23(21)25-24(29)17-9-6-10-18(14-17)27(30)31/h3-14H,1-2H3,(H,25,29)
InChIKeyNFZYNSOKFUEMLM-UHFFFAOYSA-N
XLogP4.67
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide 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-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4903800
N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin-2-yl]-2-methylbenzamide
CID 4901307
4-tert-butyl-N-[3-(3-chlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4903336
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-nitrobenzamide
CID 110506789
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-nitrobenzamide
CID 873566
N-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-2-yl]-3-nitrobenzamide
CID 16957094
2-chloro-N-[3-(3,4-dichlorophenyl)-1-methyl-4-oxoquinolin-2-yl]benzamide
CID 4911005
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615
N-(6-chloro-4-oxo-3-phenylchromen-2-yl)-3-nitrobenzamide
CID 4870359

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide?
The IUPAC name of N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide (CID 4907437) is N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide?
The canonical SMILES for N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide is Cc1cccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)c1.
What is the InChIKey of N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide?
The InChIKey is NFZYNSOKFUEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-15-7-5-8-16(13-15)21-22(28)19-11-3-4-12-20(19)26(2)23(21)25-24(29)17-9-6-10-18(14-17)27(30)31/h3-14H,1-2H3,(H,25,29).
What are the key properties of N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide?
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide has a molecular weight of 413.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide is sourced from PubChem (CID 4907437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).