3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one

C23H19NO4 — CID 101462188

IUPAC3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)c(O)c(-c3cccc(O)c3)c3ccccc32)cc1
InChIInChI=1S/C23H19NO4/c1-28-18-11-9-15(10-12-18)14-24-20-8-3-2-7-19(20)21(22(26)23(24)27)16-5-4-6-17(25)13-16/h2-13,25-26H,14H2,1H3
InChIKeyFWOXKQUELORPML-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.14
Rot. Bonds4

About 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one

3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one (PubChem CID 101462188) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
PubChem CID101462188
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)c(O)c(-c3cccc(O)c3)c3ccccc32)cc1
InChIInChI=1S/C23H19NO4/c1-28-18-11-9-15(10-12-18)14-24-20-8-3-2-7-19(20)21(22(26)23(24)27)16-5-4-6-17(25)13-16/h2-13,25-26H,14H2,1H3
InChIKeyFWOXKQUELORPML-UHFFFAOYSA-N
XLogP4.14
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-6-[(4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59241250
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
3-(3-chlorophenyl)sulfanyl-4-hydroxy-6-[(4-methoxyphenyl)methyl]pyrano[3,2-c]quinoline-2,5-dione
CID 59241367
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 10017977
4-hydroxy-6-[(4-methoxyphenyl)methyl]-3-phenylsulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59241392
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
4-hydroxy-6-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59241917
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
10-benzyl-3-methoxyacridin-9-one
CID 12751573
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
The IUPAC name of 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one (CID 101462188) is 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
The canonical SMILES for 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one is COc1ccc(Cn2c(=O)c(O)c(-c3cccc(O)c3)c3ccccc32)cc1.
What is the InChIKey of 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
The InChIKey is FWOXKQUELORPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-28-18-11-9-15(10-12-18)14-24-20-8-3-2-7-19(20)21(22(26)23(24)27)16-5-4-6-17(25)13-16/h2-13,25-26H,14H2,1H3.
What are the key properties of 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one has a molecular weight of 373.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 101462188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).