6-quinolin-8-ylhexan-3-one

C15H17NO — CID 132571149

IUPAC6-quinolin-8-ylhexan-3-one
SMILESCCC(=O)CCCc1cccc2cccnc12
InChIInChI=1S/C15H17NO/c1-2-14(17)10-4-8-12-6-3-7-13-9-5-11-16-15(12)13/h3,5-7,9,11H,2,4,8,10H2,1H3
InChIKeyOSDNFGWTGZMMET-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.54
Rot. Bonds5

About 6-quinolin-8-ylhexan-3-one

6-quinolin-8-ylhexan-3-one (PubChem CID 132571149) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-quinolin-8-ylhexan-3-one.

Molecular Properties

Compound Name6-quinolin-8-ylhexan-3-one
PubChem CID132571149
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name6-quinolin-8-ylhexan-3-one
SMILESCCC(=O)CCCc1cccc2cccnc12
InChIInChI=1S/C15H17NO/c1-2-14(17)10-4-8-12-6-3-7-13-9-5-11-16-15(12)13/h3,5-7,9,11H,2,4,8,10H2,1H3
InChIKeyOSDNFGWTGZMMET-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
CID 103258780
18-quinolin-8-yloctadec-9-enoic acid
CID 57187183
ethyl 2-quinolin-8-ylacetate
CID 52562898
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
6-(2-iodophenyl)hexan-3-one
CID 11623608
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
quinolin-8-ylmethylphosphonic acid
CID 12629202
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-8-ylhexan-3-one?
The IUPAC name of 6-quinolin-8-ylhexan-3-one (CID 132571149) is 6-quinolin-8-ylhexan-3-one.
What is the SMILES notation for 6-quinolin-8-ylhexan-3-one?
The canonical SMILES for 6-quinolin-8-ylhexan-3-one is CCC(=O)CCCc1cccc2cccnc12.
What is the InChIKey of 6-quinolin-8-ylhexan-3-one?
The InChIKey is OSDNFGWTGZMMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-14(17)10-4-8-12-6-3-7-13-9-5-11-16-15(12)13/h3,5-7,9,11H,2,4,8,10H2,1H3.
What are the key properties of 6-quinolin-8-ylhexan-3-one?
6-quinolin-8-ylhexan-3-one has a molecular weight of 227.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-8-ylhexan-3-one is sourced from PubChem (CID 132571149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).