4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one

C23H17N3O4 — CID 135525034

IUPAC4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
SMILESC/C(=N\c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H17N3O4/c1-15(24-18-12-6-8-14-20(18)26(29)30)21-22(27)17-11-5-7-13-19(17)25(23(21)28)16-9-3-2-4-10-16/h2-14,27H,1H3/b24-15+
InChIKeyRZFRKOWBWJWZDV-BUVRLJJBSA-N
MW399.41 g/mol
LogP4.75
Rot. Bonds4

About 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one

4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one (PubChem CID 135525034) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
PubChem CID135525034
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
SMILESC/C(=N\c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H17N3O4/c1-15(24-18-12-6-8-14-20(18)26(29)30)21-22(27)17-11-5-7-13-19(17)25(23(21)28)16-9-3-2-4-10-16/h2-14,27H,1H3/b24-15+
InChIKeyRZFRKOWBWJWZDV-BUVRLJJBSA-N
XLogP4.75
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-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-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
CID 135482604
N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
CID 136828013
3-[N-[2-(dihydroxyamino)phenyl]-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
CID 163125233
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
5-bromo-1-N,3-N-dihydroxy-4-[1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]benzene-1,3-diamine oxide
CID 163173626
4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135449771
4-hydroxy-1-methyl-3-[C-methyl-N-(3-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135457185
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418
3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
CID 135573975
2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
CID 135442499
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one (CID 135525034) is 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one is C/C(=N\c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one?
The InChIKey is RZFRKOWBWJWZDV-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-15(24-18-12-6-8-14-20(18)26(29)30)21-22(27)17-11-5-7-13-19(17)25(23(21)28)16-9-3-2-4-10-16/h2-14,27H,1H3/b24-15+.
What are the key properties of 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one?
4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one has a molecular weight of 399.41 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one is sourced from PubChem (CID 135525034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).