3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one

C25H17ClN4O3 — CID 135482627

IUPAC3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESC/C(=N\N=C1/C(=O)Nc2cc(Cl)ccc21)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C25H17ClN4O3/c1-14(28-29-22-17-12-11-15(26)13-19(17)27-24(22)32)21-23(31)18-9-5-6-10-20(18)30(25(21)33)16-7-3-2-4-8-16/h2-13,31H,1H3,(H,27,29,32)/b28-14+
InChIKeyMFXRPTJYGAFHJO-CCVNUDIWSA-N
MW456.89 g/mol
LogP4.52
Rot. Bonds3

About 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one

3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 135482627) has the molecular formula C25H17ClN4O3 and a molecular weight of 456.89 g/mol. Its IUPAC name is 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
PubChem CID135482627
Molecular FormulaC25H17ClN4O3
Molecular Weight456.89 g/mol
Exact Mass456.10
IUPAC Name3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESC/C(=N\N=C1/C(=O)Nc2cc(Cl)ccc21)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C25H17ClN4O3/c1-14(28-29-22-17-12-11-15(26)13-19(17)27-24(22)32)21-23(31)18-9-5-6-10-20(18)30(25(21)33)16-7-3-2-4-8-16/h2-13,31H,1H3,(H,27,29,32)/b28-14+
InChIKeyMFXRPTJYGAFHJO-CCVNUDIWSA-N
XLogP4.52
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.89
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-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

3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
CID 135482604
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
4-hydroxy-3-[C-methyl-N-(2-nitrophenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135525034
N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
CID 136828013
4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135449771
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
(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one
CID 172638817
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
CID 54682455
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
(3Z)-3-[(Z)-1-(6-oxo-1,5-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)ethylidenehydrazinylidene]-1H-indol-2-one
CID 135693113
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 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one (CID 135482627) is 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one is C/C(=N\N=C1/C(=O)Nc2cc(Cl)ccc21)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is MFXRPTJYGAFHJO-CCVNUDIWSA-N. The full InChI is InChI=1S/C25H17ClN4O3/c1-14(28-29-22-17-12-11-15(26)13-19(17)27-24(22)32)21-23(31)18-9-5-6-10-20(18)30(25(21)33)16-7-3-2-4-8-16/h2-13,31H,1H3,(H,27,29,32)/b28-14+.
What are the key properties of 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 456.89 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 135482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).