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

C29H22N4O2 — CID 135470083

IUPAC4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
SMILESC/C(=N\c1ccc(/N=N/c2ccccc2)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C29H22N4O2/c1-20(30-21-16-18-23(19-17-21)32-31-22-10-4-2-5-11-22)27-28(34)25-14-8-9-15-26(25)33(29(27)35)24-12-6-3-7-13-24/h2-19,34H,1H3/b30-20+,32-31+
InChIKeyOYQLRCHUZXTKDK-DYYBZEKYSA-N
MW458.52 g/mol
LogP7.25
Rot. Bonds5

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

4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one (PubChem CID 135470083) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
PubChem CID135470083
Molecular FormulaC29H22N4O2
Molecular Weight458.52 g/mol
Exact Mass458.17
IUPAC Name4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
SMILESC/C(=N\c1ccc(/N=N/c2ccccc2)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C29H22N4O2/c1-20(30-21-16-18-23(19-17-21)32-31-22-10-4-2-5-11-22)27-28(34)25-14-8-9-15-26(25)33(29(27)35)24-12-6-3-7-13-24/h2-19,34H,1H3/b30-20+,32-31+
InChIKeyOYQLRCHUZXTKDK-DYYBZEKYSA-N
XLogP7.25
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
CID 135482604
1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
CID 135473752
4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135449771
3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
CID 135573975
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
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
4-hydroxy-1-methyl-3-[C-methyl-N-(4-nitrophenyl)carbonimidoyl]quinolin-2-one
CID 135496935
N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
CID 136828013
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one (CID 135470083) is 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one is C/C(=N\c1ccc(/N=N/c2ccccc2)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one?
The InChIKey is OYQLRCHUZXTKDK-DYYBZEKYSA-N. The full InChI is InChI=1S/C29H22N4O2/c1-20(30-21-16-18-23(19-17-21)32-31-22-10-4-2-5-11-22)27-28(34)25-14-8-9-15-26(25)33(29(27)35)24-12-6-3-7-13-24/h2-19,34H,1H3/b30-20+,32-31+.
What are the key properties of 4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one?
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one has a molecular weight of 458.52 g/mol, XLogP of 7.25, 5 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-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one is sourced from PubChem (CID 135470083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).