4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one

C25H20FNO — CID 122399308

IUPAC4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one
SMILESO=C(CC(Cc1ccc2ccc(F)cc2n1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20FNO/c26-22-13-11-19-12-14-23(27-24(19)17-22)15-21(18-7-3-1-4-8-18)16-25(28)20-9-5-2-6-10-20/h1-14,17,21H,15-16H2
InChIKeyDZHYAXVEJIKTQL-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.97
Rot. Bonds6

About 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one

4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one (PubChem CID 122399308) has the molecular formula C25H20FNO and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one.

Molecular Properties

Compound Name4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one
PubChem CID122399308
Molecular FormulaC25H20FNO
Molecular Weight369.44 g/mol
Exact Mass369.15
IUPAC Name4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one
SMILESO=C(CC(Cc1ccc2ccc(F)cc2n1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20FNO/c26-22-13-11-19-12-14-23(27-24(19)17-22)15-21(18-7-3-1-4-8-18)16-25(28)20-9-5-2-6-10-20/h1-14,17,21H,15-16H2
InChIKeyDZHYAXVEJIKTQL-UHFFFAOYSA-N
XLogP5.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one?
The IUPAC name of 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one (CID 122399308) is 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one.
What is the SMILES notation for 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one?
The canonical SMILES for 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one is O=C(CC(Cc1ccc2ccc(F)cc2n1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one?
The InChIKey is DZHYAXVEJIKTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO/c26-22-13-11-19-12-14-23(27-24(19)17-22)15-21(18-7-3-1-4-8-18)16-25(28)20-9-5-2-6-10-20/h1-14,17,21H,15-16H2.
What are the key properties of 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one?
4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one has a molecular weight of 369.44 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoroquinolin-2-yl)-1,3-diphenylbutan-1-one is sourced from PubChem (CID 122399308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).