3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one

C24H19ClFNO2 — CID 54690735

IUPAC3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H19ClFNO2/c1-2-27-22-6-4-3-5-18(22)23(28)19(24(27)29)13-15-7-9-16(10-8-15)17-11-12-21(26)20(25)14-17/h3-12,14,28H,2,13H2,1H3
InChIKeyQSOJWCYSLWSOJQ-UHFFFAOYSA-N
MW407.87 g/mol
LogP5.78
Rot. Bonds4

About 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one

3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one (PubChem CID 54690735) has the molecular formula C24H19ClFNO2 and a molecular weight of 407.87 g/mol. Its IUPAC name is 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one
PubChem CID54690735
Molecular FormulaC24H19ClFNO2
Molecular Weight407.87 g/mol
Exact Mass407.11
IUPAC Name3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one
SMILESCCn1c(=O)c(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H19ClFNO2/c1-2-27-22-6-4-3-5-18(22)23(28)19(24(27)29)13-15-7-9-16(10-8-15)17-11-12-21(26)20(25)14-17/h3-12,14,28H,2,13H2,1H3
InChIKeyQSOJWCYSLWSOJQ-UHFFFAOYSA-N
XLogP5.78
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317
4-hydroxy-1-methyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]quinolin-2-one
CID 54696598
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
3-[[4-(dimethylamino)phenyl]methyl]-4-hydroxy-1-methylquinolin-2-one
CID 54707812
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
9-ethyl-3-[(2,3,6-trifluorophenyl)methyl]carbazole
CID 91058956
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
1-benzyl-3,4-bis(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 139593935
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
1-ethyl-4-hydroxy-3-[C-methyl-N-(4-methylphenyl)carbonimidoyl]quinolin-2-one
CID 135473752

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one?
The IUPAC name of 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one (CID 54690735) is 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one is CCn1c(=O)c(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)c(O)c2ccccc21.
What is the InChIKey of 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one?
The InChIKey is QSOJWCYSLWSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO2/c1-2-27-22-6-4-3-5-18(22)23(28)19(24(27)29)13-15-7-9-16(10-8-15)17-11-12-21(26)20(25)14-17/h3-12,14,28H,2,13H2,1H3.
What are the key properties of 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one?
3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one has a molecular weight of 407.87 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-1-ethyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54690735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).