3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one

C19H13N3O4 — CID 135489139

IUPAC3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)on1
InChIInChI=1S/C19H13N3O4/c1-11-9-16(26-21-11)18-17(12-5-3-2-4-6-12)14-10-13(22(24)25)7-8-15(14)20-19(18)23/h2-10H,1H3,(H,20,23)
InChIKeyWUODVVWLDXKMCY-UHFFFAOYSA-N
MW347.33 g/mol
LogP4.07
Rot. Bonds3

About 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one

3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one (PubChem CID 135489139) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one
PubChem CID135489139
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC Name3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)on1
InChIInChI=1S/C19H13N3O4/c1-11-9-16(26-21-11)18-17(12-5-3-2-4-6-12)14-10-13(22(24)25)7-8-15(14)20-19(18)23/h2-10H,1H3,(H,20,23)
InChIKeyWUODVVWLDXKMCY-UHFFFAOYSA-N
XLogP4.07
TPSA102.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 54.07
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 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-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

6-Chloro-3-(3-methylisoxazol-5-YL)-4-phenylquinolin-2(1H)-one
CID 135457822
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2,6-Diisopropyl-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 10554232
5-Methyl-3-(2-nitro-phenyl)-isoxazole-4-carboxylic acid (4-diethylamino-phenyl)-amide
CID 11531313
N-(2,4-Difluoro-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 18955387
6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135442635
6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135483665
6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135499847
6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 135531166
6-chloro-4-(cyclohexen-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135545383
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-(4-methylphenyl)-1H-quinolin-2-one
CID 136018630

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one (CID 135489139) is 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)on1.
What is the InChIKey of 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one?
The InChIKey is WUODVVWLDXKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c1-11-9-16(26-21-11)18-17(12-5-3-2-4-6-12)14-10-13(22(24)25)7-8-15(14)20-19(18)23/h2-10H,1H3,(H,20,23).
What are the key properties of 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one?
3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one has a molecular weight of 347.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-oxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135489139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).