1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one

C24H20FNO3 — CID 23500363

IUPAC1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one
SMILESCc1c(Cc2ccccc2F)c(=O)n(Cc2ccccc2)c2cc(O)cc(O)c12
InChIInChI=1S/C24H20FNO3/c1-15-19(11-17-9-5-6-10-20(17)25)24(29)26(14-16-7-3-2-4-8-16)21-12-18(27)13-22(28)23(15)21/h2-10,12-13,27-28H,11,14H2,1H3
InChIKeyCPSBMDFODMKVSN-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.50
Rot. Bonds4

About 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one

1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one (PubChem CID 23500363) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one
PubChem CID23500363
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one
SMILESCc1c(Cc2ccccc2F)c(=O)n(Cc2ccccc2)c2cc(O)cc(O)c12
InChIInChI=1S/C24H20FNO3/c1-15-19(11-17-9-5-6-10-20(17)25)24(29)26(14-16-7-3-2-4-8-16)21-12-18(27)13-22(28)23(15)21/h2-10,12-13,27-28H,11,14H2,1H3
InChIKeyCPSBMDFODMKVSN-UHFFFAOYSA-N
XLogP4.50
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[4-(dimethylcarbamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-2,4-dihydroxybenzamide
CID 151835909
5,7-dihydroxy-3-(4-hydroxyphenyl)-1H-quinolin-2-one
CID 10221046
5,7-Dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one
CID 10869784
3-(4-Hydroxyphenyl)-5,7-dimethoxy-1-methylquinolin-2-one
CID 11066899
5,7-Dimethoxy-3-(4-methoxyphenyl)-1-methyl-1,2-dihydroquinolin-2-one
CID 11067335
1-(2,4-dihydroxybenzoyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 117970624
(2,4-dihydroxyphenyl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117970829
1-(2,4-dihydroxybenzoyl)-N-(3-fluorophenyl)-N,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 117970842

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
The IUPAC name of 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one (CID 23500363) is 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one.
What is the SMILES notation for 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
The canonical SMILES for 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one is Cc1c(Cc2ccccc2F)c(=O)n(Cc2ccccc2)c2cc(O)cc(O)c12.
What is the InChIKey of 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
The InChIKey is CPSBMDFODMKVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-15-19(11-17-9-5-6-10-20(17)25)24(29)26(14-16-7-3-2-4-8-16)21-12-18(27)13-22(28)23(15)21/h2-10,12-13,27-28H,11,14H2,1H3.
What are the key properties of 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one has a molecular weight of 389.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one is sourced from PubChem (CID 23500363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).