7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one

C23H17ClFNO — CID 70685787

IUPAC7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2cccc(Cc3ccc(F)cc3)c2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C23H17ClFNO/c1-14-22(26-21-13-18(24)7-10-20(21)23(14)27)17-4-2-3-16(12-17)11-15-5-8-19(25)9-6-15/h2-10,12-13H,11H2,1H3,(H,26,27)
InChIKeyCSYJRULUGQXWNJ-UHFFFAOYSA-N
MW377.85 g/mol
LogP5.89
Rot. Bonds3

About 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one

7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one (PubChem CID 70685787) has the molecular formula C23H17ClFNO and a molecular weight of 377.85 g/mol. Its IUPAC name is 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one
PubChem CID70685787
Molecular FormulaC23H17ClFNO
Molecular Weight377.85 g/mol
Exact Mass377.10
IUPAC Name7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2cccc(Cc3ccc(F)cc3)c2)[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C23H17ClFNO/c1-14-22(26-21-13-18(24)7-10-20(21)23(14)27)17-4-2-3-16(12-17)11-15-5-8-19(25)9-6-15/h2-10,12-13H,11H2,1H3,(H,26,27)
InChIKeyCSYJRULUGQXWNJ-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 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one (CID 70685787) is 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2cccc(Cc3ccc(F)cc3)c2)[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is CSYJRULUGQXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO/c1-14-22(26-21-13-18(24)7-10-20(21)23(14)27)17-4-2-3-16(12-17)11-15-5-8-19(25)9-6-15/h2-10,12-13H,11H2,1H3,(H,26,27).
What are the key properties of 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-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 7-chloro-2-[3-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 70685787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).