4-(quinolin-6-ylmethyl)cyclohexan-1-one

C16H17NO — CID 116997362

IUPAC4-(quinolin-6-ylmethyl)cyclohexan-1-one
SMILESO=C1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H17NO/c18-15-6-3-12(4-7-15)10-13-5-8-16-14(11-13)2-1-9-17-16/h1-2,5,8-9,11-12H,3-4,6-7,10H2
InChIKeyGKOHGPPNMHBTRK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds2

About 4-(quinolin-6-ylmethyl)cyclohexan-1-one

4-(quinolin-6-ylmethyl)cyclohexan-1-one (PubChem CID 116997362) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(quinolin-6-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(quinolin-6-ylmethyl)cyclohexan-1-one
PubChem CID116997362
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(quinolin-6-ylmethyl)cyclohexan-1-one
SMILESO=C1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H17NO/c18-15-6-3-12(4-7-15)10-13-5-8-16-14(11-13)2-1-9-17-16/h1-2,5,8-9,11-12H,3-4,6-7,10H2
InChIKeyGKOHGPPNMHBTRK-UHFFFAOYSA-N
XLogP3.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(azepan-4-ylmethyl)quinoline
CID 155906957
6-(1,3-dioxolan-2-ylmethyl)quinoline
CID 165178213
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
CID 110090986
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124983487
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
pyrimidin-4-yl-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124975155
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
1-[2-[3-[4-(quinolin-6-ylmethyl)piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458822
3-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-6-ylmethyl)cyclohexan-1-one?
The IUPAC name of 4-(quinolin-6-ylmethyl)cyclohexan-1-one (CID 116997362) is 4-(quinolin-6-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(quinolin-6-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 4-(quinolin-6-ylmethyl)cyclohexan-1-one is O=C1CCC(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 4-(quinolin-6-ylmethyl)cyclohexan-1-one?
The InChIKey is GKOHGPPNMHBTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-15-6-3-12(4-7-15)10-13-5-8-16-14(11-13)2-1-9-17-16/h1-2,5,8-9,11-12H,3-4,6-7,10H2.
What are the key properties of 4-(quinolin-6-ylmethyl)cyclohexan-1-one?
4-(quinolin-6-ylmethyl)cyclohexan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-6-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 116997362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).