7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one

C16H12N2O3 — CID 721684

IUPAC7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one
SMILESCc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)[nH]c2c1
InChIInChI=1S/C16H12N2O3/c1-10-2-7-13-14(9-16(19)17-15(13)8-10)11-3-5-12(6-4-11)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyAIPRYILPOZTXBV-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.41
Rot. Bonds2

About 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one

7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one (PubChem CID 721684) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one
PubChem CID721684
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one
SMILESCc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)[nH]c2c1
InChIInChI=1S/C16H12N2O3/c1-10-2-7-13-14(9-16(19)17-15(13)8-10)11-3-5-12(6-4-11)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyAIPRYILPOZTXBV-UHFFFAOYSA-N
XLogP3.41
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

7-(2-Fluorophenyl)-4-Methylquinolin-2(1h)-One
CID 71576800
Acetamide, N-(2-methyl-4-nitrophenyl)-
CID 75936
N-(2-Ethylphenyl)-4-nitrobenzamide
CID 791934
4-(3,4-Dimethylanilino)-1-methyl-3-nitroquinolin-2-one
CID 2877681
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-2(1H)-quinolinone
CID 2916903
N-(2-methyl-5-nitrophenyl)-4-biphenylcarboxamide
CID 721931
2,2,4-Trimethyl-6-(3-nitrophenyl)-1,2-dihydroquinoline
CID 10494026
6-(3-Fluoro-5-nitrophenyl)-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10805052
N-(4-Methyl-3-nitrophenyl)acetamide
CID 73133
3-acetyl-6-nitro-4-phenylquinolin-2(1H)-one
CID 678864
6-Nitroquinolin-2(1H)-one
CID 899932
N-(1-Nitro-naphthalen-2-YL)-acetamide
CID 222855

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
The IUPAC name of 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one (CID 721684) is 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one is Cc1ccc2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
The InChIKey is AIPRYILPOZTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-2-7-13-14(9-16(19)17-15(13)8-10)11-3-5-12(6-4-11)18(20)21/h2-9H,1H3,(H,17,19).
What are the key properties of 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one?
7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one has a molecular weight of 280.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(4-nitrophenyl)-1H-quinolin-2-one is sourced from PubChem (CID 721684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).