1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one

C28H25F2NO — CID 167693810

IUPAC1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one
SMILESCCC(F)(F)CCC(=O)Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C28H25F2NO/c1-2-28(29,30)16-15-24(32)18-20-13-14-26-23(17-20)19-25(21-9-5-3-6-10-21)27(31-26)22-11-7-4-8-12-22/h3-14,17,19H,2,15-16,18H2,1H3
InChIKeyXIRIKLLTHYBWKP-UHFFFAOYSA-N
MW429.51 g/mol
LogP7.51
Rot. Bonds8

About 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one

1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one (PubChem CID 167693810) has the molecular formula C28H25F2NO and a molecular weight of 429.51 g/mol. Its IUPAC name is 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one.

Molecular Properties

Compound Name1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one
PubChem CID167693810
Molecular FormulaC28H25F2NO
Molecular Weight429.51 g/mol
Exact Mass429.19
IUPAC Name1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one
SMILESCCC(F)(F)CCC(=O)Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C28H25F2NO/c1-2-28(29,30)16-15-24(32)18-20-13-14-26-23(17-20)19-25(21-9-5-3-6-10-21)27(31-26)22-11-7-4-8-12-22/h3-14,17,19H,2,15-16,18H2,1H3
InChIKeyXIRIKLLTHYBWKP-UHFFFAOYSA-N
XLogP7.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.51
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-difluoro-1-(2-methyl-3-phenylquinolin-6-yl)heptan-2-one
CID 167595176
1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one
CID 167696611
1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
CID 167561104
2,3-diphenylquinolin-6-ol
CID 53381619
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
2-(6-ethyl-2-phenylquinolin-3-yl)ethanol
CID 59780476
(5R)-1-(6,7-diphenylpyrido[3,2-d]pyrimidin-2-yl)-5-hydroxyheptan-2-one
CID 167606361
(5R)-5-hydroxy-1-(3-methyl-2-phenyl-4-propanoylquinolin-6-yl)heptan-2-one
CID 167685594
[2-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-phenylquinolin-6-yl]-trimethylsilane;(Z)-5-hydroxyhept-4-en-3-one;iridium
CID 156675957
1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone
CID 177349681
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one?
The IUPAC name of 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one (CID 167693810) is 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one.
What is the SMILES notation for 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one?
The canonical SMILES for 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one is CCC(F)(F)CCC(=O)Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1.
What is the InChIKey of 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one?
The InChIKey is XIRIKLLTHYBWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2NO/c1-2-28(29,30)16-15-24(32)18-20-13-14-26-23(17-20)19-25(21-9-5-3-6-10-21)27(31-26)22-11-7-4-8-12-22/h3-14,17,19H,2,15-16,18H2,1H3.
What are the key properties of 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one?
1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one has a molecular weight of 429.51 g/mol, XLogP of 7.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one is sourced from PubChem (CID 167693810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).