N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide

C25H21N3O4 — CID 17096449

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C25H21N3O4/c1-16-5-3-7-21(11-16)27(25(30)19-6-4-8-22(14-19)28(31)32)15-20-13-18-10-9-17(2)12-23(18)26-24(20)29/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyYUSLJMJBWJBZQK-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.90
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide (PubChem CID 17096449) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
PubChem CID17096449
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
SMILESCc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C25H21N3O4/c1-16-5-3-7-21(11-16)27(25(30)19-6-4-8-22(14-19)28(31)32)15-20-13-18-10-9-17(2)12-23(18)26-24(20)29/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyYUSLJMJBWJBZQK-UHFFFAOYSA-N
XLogP4.90
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
CID 1424779
N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzamide
CID 1417860
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 3796876
N-(4-methoxyphenyl)-3-nitro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1312261
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
CID 930030
N-(3,4-dimethylphenyl)-3-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1419683
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 3792092
N-(3,4-dimethylphenyl)-3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1392960
4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3912150
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 945176
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitro-N-propylbenzamide
CID 4020279

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide (CID 17096449) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide is Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide?
The InChIKey is YUSLJMJBWJBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16-5-3-7-21(11-16)27(25(30)19-6-4-8-22(14-19)28(31)32)15-20-13-18-10-9-17(2)12-23(18)26-24(20)29/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide has a molecular weight of 427.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 17096449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).