3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one

C23H17ClN2O3 — CID 135482604

IUPAC3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESC/C(=N\c1cc(Cl)ccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H17ClN2O3/c1-14(25-18-13-15(24)11-12-20(18)27)21-22(28)17-9-5-6-10-19(17)26(23(21)29)16-7-3-2-4-8-16/h2-13,27-28H,1H3/b25-14+
InChIKeyMWDOODWUCZOWEJ-AFUMVMLFSA-N
MW404.85 g/mol
LogP5.20
Rot. Bonds3

About 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one

3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 135482604) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
PubChem CID135482604
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
SMILESC/C(=N\c1cc(Cl)ccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H17ClN2O3/c1-14(25-18-13-15(24)11-12-20(18)27)21-22(28)17-9-5-6-10-19(17)26(23(21)29)16-7-3-2-4-8-16/h2-13,27-28H,1H3/b25-14+
InChIKeyMWDOODWUCZOWEJ-AFUMVMLFSA-N
XLogP5.20
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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
3-[(E)-N-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)amino]-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one
CID 135482627
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
3-[N-(4-carboxy-3-hydroxyphenyl)-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
CID 135573975
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
CID 54682455
3-[N-[2-(dihydroxyamino)phenyl]-C-methylcarbonimidoyl]-2-oxo-1-phenylquinolin-4-olate
CID 163125233
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
N-[(Z)-1-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)ethylideneamino]-4-nitrobenzamide
CID 136828013
2-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135488854
2-[1-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)ethylideneamino]benzenesulfonic acid
CID 135442499

Frequently Asked Questions

What is the IUPAC name of 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one (CID 135482604) is 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one is C/C(=N\c1cc(Cl)ccc1O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is MWDOODWUCZOWEJ-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-14(25-18-13-15(24)11-12-20(18)27)21-22(28)17-9-5-6-10-19(17)26(23(21)29)16-7-3-2-4-8-16/h2-13,27-28H,1H3/b25-14+.
What are the key properties of 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one?
3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 404.85 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(5-chloro-2-hydroxyphenyl)-C-methylcarbonimidoyl]-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 135482604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).