2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one

C27H16ClF2NO — CID 166442732

IUPAC2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)[nH]c2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C27H16ClF2NO/c28-20-7-1-18(2-8-20)24-15-26(32)27-23(17-5-11-22(30)12-6-17)13-19(14-25(27)31-24)16-3-9-21(29)10-4-16/h1-15H,(H,31,32)
InChIKeyTWSRZVZZOACQAL-UHFFFAOYSA-N
MW443.88 g/mol
LogP7.46
Rot. Bonds3

About 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one

2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one (PubChem CID 166442732) has the molecular formula C27H16ClF2NO and a molecular weight of 443.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one
PubChem CID166442732
Molecular FormulaC27H16ClF2NO
Molecular Weight443.88 g/mol
Exact Mass443.09
IUPAC Name2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one
SMILESO=c1cc(-c2ccc(Cl)cc2)[nH]c2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c12
InChIInChI=1S/C27H16ClF2NO/c28-20-7-1-18(2-8-20)24-15-26(32)27-23(17-5-11-22(30)12-6-17)13-19(14-25(27)31-24)16-3-9-21(29)10-4-16/h1-15H,(H,31,32)
InChIKeyTWSRZVZZOACQAL-UHFFFAOYSA-N
XLogP7.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.88
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one (CID 166442732) is 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one is O=c1cc(-c2ccc(Cl)cc2)[nH]c2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one?
The InChIKey is TWSRZVZZOACQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClF2NO/c28-20-7-1-18(2-8-20)24-15-26(32)27-23(17-5-11-22(30)12-6-17)13-19(14-25(27)31-24)16-3-9-21(29)10-4-16/h1-15H,(H,31,32).
What are the key properties of 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one?
2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one has a molecular weight of 443.88 g/mol, XLogP of 7.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one is sourced from PubChem (CID 166442732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).