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

C17H13N3O4 — CID 53359987

IUPACN-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
SMILESCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21
InChIInChI=1S/C17H13N3O4/c1-19-10-13(16(21)11-6-2-4-8-14(11)19)18-17(22)12-7-3-5-9-15(12)20(23)24/h2-10H,1H3,(H,18,22)
InChIKeyZPQTWPDMKZHBRX-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.70
Rot. Bonds3

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

N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide (PubChem CID 53359987) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
PubChem CID53359987
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
SMILESCn1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21
InChIInChI=1S/C17H13N3O4/c1-19-10-13(16(21)11-6-2-4-8-14(11)19)18-17(22)12-7-3-5-9-15(12)20(23)24/h2-10H,1H3,(H,18,22)
InChIKeyZPQTWPDMKZHBRX-UHFFFAOYSA-N
XLogP2.70
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.70
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'}

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Related Compounds

2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
CID 30131946
methyl 1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-3-carboxylate
CID 19341428
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19411125
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide?
The IUPAC name of N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide (CID 53359987) is N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide.
What is the SMILES notation for N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide?
The canonical SMILES for N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide is Cn1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(=O)c2ccccc21.
What is the InChIKey of N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide?
The InChIKey is ZPQTWPDMKZHBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-19-10-13(16(21)11-6-2-4-8-14(11)19)18-17(22)12-7-3-5-9-15(12)20(23)24/h2-10H,1H3,(H,18,22).
What are the key properties of N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide?
N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide has a molecular weight of 323.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 53359987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).