4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one

C17H14N2O3 — CID 39767911

IUPAC4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
SMILESCc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C17H14N2O3/c1-12-10-17(20)18(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)19(21)22/h2-10H,11H2,1H3
InChIKeyAANKINNYEZPZEU-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.27
Rot. Bonds3

About 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one

4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one (PubChem CID 39767911) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
PubChem CID39767911
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one
SMILESCc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C17H14N2O3/c1-12-10-17(20)18(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)19(21)22/h2-10H,11H2,1H3
InChIKeyAANKINNYEZPZEU-UHFFFAOYSA-N
XLogP3.27
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one 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

9-benzyl-3,6-dinitrocarbazole
CID 5059102
10-benzyl-2-nitroacridin-9-one
CID 12751568
2-hydroxy-4-methyl-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 23338590
1-[(4-nitrophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 46247349
6-chloro-2-ethyl-3-[(4-nitrophenyl)methyl]pyrimidin-4-one
CID 114584345
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
4-methyl-1-(3-oxobutyl)quinolin-2-one
CID 919960
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
CID 39767907
1-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-2-one
CID 71397209
1-(3-chlorobut-2-enyl)-4-methylquinolin-2-one
CID 3722733
2-[1-[(4-chlorophenyl)methyl]-6-nitro-2-oxoquinolin-4-yl]acetic acid
CID 12802770
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
CID 24730405

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one?
The IUPAC name of 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one (CID 39767911) is 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one.
What is the SMILES notation for 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one?
The canonical SMILES for 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one is Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one?
The InChIKey is AANKINNYEZPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-10-17(20)18(16-5-3-2-4-15(12)16)11-13-6-8-14(9-7-13)19(21)22/h2-10H,11H2,1H3.
What are the key properties of 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one?
4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one has a molecular weight of 294.31 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-nitrophenyl)methyl]quinolin-2-one is sourced from PubChem (CID 39767911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).