N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide

C24H19N3O4 — CID 1424779

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
SMILESCc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H19N3O4/c1-16-7-8-18-14-19(23(28)25-22(18)13-16)15-26(20-5-3-2-4-6-20)24(29)17-9-11-21(12-10-17)27(30)31/h2-14H,15H2,1H3,(H,25,28)
InChIKeyBYZVRTJEJSLKNB-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.59
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide (PubChem CID 1424779) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
PubChem CID1424779
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
SMILESCc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H19N3O4/c1-16-7-8-18-14-19(23(28)25-22(18)13-16)15-26(20-5-3-2-4-6-20)24(29)17-9-11-21(12-10-17)27(30)31/h2-14H,15H2,1H3,(H,25,28)
InChIKeyBYZVRTJEJSLKNB-UHFFFAOYSA-N
XLogP4.59
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.59
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'}

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
CID 17096449
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
2,2-dimethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylpropanamide
CID 936088
N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 2023817
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
CID 930092
4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3912150
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 3792092
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)pyridine-3-carboxamide
CID 3796876
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1426956
N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzamide
CID 1417860
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide (CID 1424779) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide is Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide?
The InChIKey is BYZVRTJEJSLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-16-7-8-18-14-19(23(28)25-22(18)13-16)15-26(20-5-3-2-4-6-20)24(29)17-9-11-21(12-10-17)27(30)31/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide has a molecular weight of 413.43 g/mol, XLogP of 4.59, 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]-4-nitro-N-phenylbenzamide is sourced from PubChem (CID 1424779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).