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

C24H20FNO3 — CID 23500393

IUPAC3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one
SMILESCc1c(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c2cc(O)cc(O)c12
InChIInChI=1S/C24H20FNO3/c1-15-20(11-16-5-3-2-4-6-16)24(29)26(14-17-7-9-18(25)10-8-17)21-12-19(27)13-22(28)23(15)21/h2-10,12-13,27-28H,11,14H2,1H3
InChIKeyHCMKTWJEPNFRAL-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.50
Rot. Bonds4

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

3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one (PubChem CID 23500393) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one.

Molecular Properties

Compound Name3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one
PubChem CID23500393
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one
SMILESCc1c(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c2cc(O)cc(O)c12
InChIInChI=1S/C24H20FNO3/c1-15-20(11-16-5-3-2-4-6-16)24(29)26(14-17-7-9-18(25)10-8-17)21-12-19(27)13-22(28)23(15)21/h2-10,12-13,27-28H,11,14H2,1H3
InChIKeyHCMKTWJEPNFRAL-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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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
The IUPAC name of 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one (CID 23500393) is 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one.
What is the SMILES notation for 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
The canonical SMILES for 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one is Cc1c(Cc2ccccc2)c(=O)n(Cc2ccc(F)cc2)c2cc(O)cc(O)c12.
What is the InChIKey of 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
The InChIKey is HCMKTWJEPNFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-15-20(11-16-5-3-2-4-6-16)24(29)26(14-17-7-9-18(25)10-8-17)21-12-19(27)13-22(28)23(15)21/h2-10,12-13,27-28H,11,14H2,1H3.
What are the key properties of 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one?
3-benzyl-1-[(4-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 3-benzyl-1-[(4-fluorophenyl)methyl]-5,7-dihydroxy-4-methylquinolin-2-one is sourced from PubChem (CID 23500393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).