5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one

C16H13NO4 — CID 10869784

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(-c2ccc(O)cc2)cc2c(O)cc(O)cc21
InChIInChI=1S/C16H13NO4/c1-17-14-6-11(19)7-15(20)13(14)8-12(16(17)21)9-2-4-10(18)5-3-9/h2-8,18-20H,1H3
InChIKeyPUEMVFSBPADQCN-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.32
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one

5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one (PubChem CID 10869784) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one
PubChem CID10869784
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(-c2ccc(O)cc2)cc2c(O)cc(O)cc21
InChIInChI=1S/C16H13NO4/c1-17-14-6-11(19)7-15(20)13(14)8-12(16(17)21)9-2-4-10(18)5-3-9/h2-8,18-20H,1H3
InChIKeyPUEMVFSBPADQCN-UHFFFAOYSA-N
XLogP2.32
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Dihydroxy-10-methyl-9(10H)-acridinone
CID 5282066
5,7-Dihydroxy-3-(3-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
CID 11651922
(2,4-dihydroxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117967655
(2,4-dihydroxyphenyl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117967696
(2,4-dihydroxyphenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 117968039
N-benzyl-2,4-dihydroxy-N-phenylbenzamide
CID 117972616
N-benzyl-N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxybenzamide
CID 117972799
Glycocitrine II
CID 11781835
5,7-Dihydroxy-3-phenyl-3,4-dihydroquinazolin-4-one
CID 11579722
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-methylbenzamide
CID 137642154
N-[4-(dimethylcarbamoyl)phenyl]-N-(2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 150821022
N-[4-(dimethylcarbamoyl)phenyl]-2,4-dihydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 151961601

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one (CID 10869784) is 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one is Cn1c(=O)c(-c2ccc(O)cc2)cc2c(O)cc(O)cc21.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one?
The InChIKey is PUEMVFSBPADQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-17-14-6-11(19)7-15(20)13(14)8-12(16(17)21)9-2-4-10(18)5-3-9/h2-8,18-20H,1H3.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one has a molecular weight of 283.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 10869784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).