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

C28H27NO2 — CID 167696611

IUPAC1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one
SMILESCCC(O)CCC(=O)Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C28H27NO2/c1-2-24(30)14-15-25(31)18-20-13-16-27-23(17-20)19-26(21-9-5-3-6-10-21)28(29-27)22-11-7-4-8-12-22/h3-13,16-17,19,24,30H,2,14-15,18H2,1H3
InChIKeyXTDZISSTIBGYGG-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.23
Rot. Bonds8

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

1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one (PubChem CID 167696611) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one.

Molecular Properties

Compound Name1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one
PubChem CID167696611
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one
SMILESCCC(O)CCC(=O)Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1
InChIInChI=1S/C28H27NO2/c1-2-24(30)14-15-25(31)18-20-13-16-27-23(17-20)19-26(21-9-5-3-6-10-21)28(29-27)22-11-7-4-8-12-22/h3-13,16-17,19,24,30H,2,14-15,18H2,1H3
InChIKeyXTDZISSTIBGYGG-UHFFFAOYSA-N
XLogP6.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-diphenylquinolin-6-yl)-5,5-difluoroheptan-2-one
CID 167693810
(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
1-(2,3-diphenylquinolin-6-yl)-3-(1-methylpyrrolidin-3-yl)propan-2-one
CID 167561104
5,5-difluoro-1-(2-methyl-3-phenylquinolin-6-yl)heptan-2-one
CID 167595176
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
CID 155589157
2,3-diphenylquinolin-6-ol
CID 53381619
2-(6-ethyl-2-phenylquinolin-3-yl)ethanol
CID 59780476
7-(3-hydroxypentyl)-3-phenylchromen-2-one
CID 146412094
1-[3-(2-fluorophenyl)-2-(4-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589258
1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone
CID 177349681

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one?
The IUPAC name of 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one (CID 167696611) is 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one.
What is the SMILES notation for 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one?
The canonical SMILES for 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one is CCC(O)CCC(=O)Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)cc2c1.
What is the InChIKey of 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one?
The InChIKey is XTDZISSTIBGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-2-24(30)14-15-25(31)18-20-13-16-27-23(17-20)19-26(21-9-5-3-6-10-21)28(29-27)22-11-7-4-8-12-22/h3-13,16-17,19,24,30H,2,14-15,18H2,1H3.
What are the key properties of 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one?
1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one has a molecular weight of 409.53 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylquinolin-6-yl)-5-hydroxyheptan-2-one is sourced from PubChem (CID 167696611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).