1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one

C17H15N3O3 — CID 3128936

IUPAC1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one
SMILESCc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15N3O3/c1-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19(2)17(21)16(15)20(22)23/h3-10,18H,1-2H3
InChIKeyWIQXGVFAMBOGCP-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.50
Rot. Bonds3

About 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one

1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one (PubChem CID 3128936) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one
PubChem CID3128936
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one
SMILESCc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1
InChIInChI=1S/C17H15N3O3/c1-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19(2)17(21)16(15)20(22)23/h3-10,18H,1-2H3
InChIKeyWIQXGVFAMBOGCP-UHFFFAOYSA-N
XLogP3.50
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.50
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'}

Analyze 1-methyl-4-(4-methylanilino)-3-nitroquinolin-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

4-Chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one
CID 701939
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
3-nitro-1-phenyl-4-(pyrrolidin-1-yl)quinolin-2(1H)-one
CID 2879094
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
4-azido-1-methyl-3-nitro-1H-quinolin-2-one
CID 387473
3,3-dimethyl-1-(4-nitrobenzyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 763761
4-(diethylamino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 2863862
3-Amino-6-nitro-4-phenyl-1H-quinolin-2-one
CID 5378140
7-Methyl-4-(4-nitrophenyl)hydroquinolin-2-one
CID 721684
4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
CID 800048
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 939075
N-(2-methylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 944274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one?
The IUPAC name of 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one (CID 3128936) is 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one is Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one?
The InChIKey is WIQXGVFAMBOGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)19(2)17(21)16(15)20(22)23/h3-10,18H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one?
1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one has a molecular weight of 309.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylanilino)-3-nitroquinolin-2-one is sourced from PubChem (CID 3128936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).