2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one

C23H17ClFNO — CID 155550452

IUPAC2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Cc3ccc(Cl)cc3)cc2)[nH]c2cccc(F)c2c1=O
InChIInChI=1S/C23H17ClFNO/c1-14-22(26-20-4-2-3-19(25)21(20)23(14)27)17-9-5-15(6-10-17)13-16-7-11-18(24)12-8-16/h2-12H,13H2,1H3,(H,26,27)
InChIKeyBFPOBROGFPKHFR-UHFFFAOYSA-N
MW377.85 g/mol
LogP5.89
Rot. Bonds3

About 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one

2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one (PubChem CID 155550452) has the molecular formula C23H17ClFNO and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one
PubChem CID155550452
Molecular FormulaC23H17ClFNO
Molecular Weight377.85 g/mol
Exact Mass377.10
IUPAC Name2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Cc3ccc(Cl)cc3)cc2)[nH]c2cccc(F)c2c1=O
InChIInChI=1S/C23H17ClFNO/c1-14-22(26-20-4-2-3-19(25)21(20)23(14)27)17-9-5-15(6-10-17)13-16-7-11-18(24)12-8-16/h2-12H,13H2,1H3,(H,26,27)
InChIKeyBFPOBROGFPKHFR-UHFFFAOYSA-N
XLogP5.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one (CID 155550452) is 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(Cc3ccc(Cl)cc3)cc2)[nH]c2cccc(F)c2c1=O.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one?
The InChIKey is BFPOBROGFPKHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO/c1-14-22(26-20-4-2-3-19(25)21(20)23(14)27)17-9-5-15(6-10-17)13-16-7-11-18(24)12-8-16/h2-12H,13H2,1H3,(H,26,27).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one?
2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one has a molecular weight of 377.85 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]phenyl]-5-fluoro-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 155550452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).