azepan-1-yl(quinolin-2-yl)methanone

C16H18N2O — CID 7779308

IUPACazepan-1-yl(quinolin-2-yl)methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCCC1
InChIInChI=1S/C16H18N2O/c19-16(18-11-5-1-2-6-12-18)15-10-9-13-7-3-4-8-14(13)17-15/h3-4,7-10H,1-2,5-6,11-12H2
InChIKeyVCMQXSSRMUQEKL-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.25
Rot. Bonds1

About azepan-1-yl(quinolin-2-yl)methanone

azepan-1-yl(quinolin-2-yl)methanone (PubChem CID 7779308) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is azepan-1-yl(quinolin-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(quinolin-2-yl)methanone
PubChem CID7779308
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nameazepan-1-yl(quinolin-2-yl)methanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCCC1
InChIInChI=1S/C16H18N2O/c19-16(18-11-5-1-2-6-12-18)15-10-9-13-7-3-4-8-14(13)17-15/h3-4,7-10H,1-2,5-6,11-12H2
InChIKeyVCMQXSSRMUQEKL-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414
[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
CID 97393407

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(quinolin-2-yl)methanone?
The IUPAC name of azepan-1-yl(quinolin-2-yl)methanone (CID 7779308) is azepan-1-yl(quinolin-2-yl)methanone.
What is the SMILES notation for azepan-1-yl(quinolin-2-yl)methanone?
The canonical SMILES for azepan-1-yl(quinolin-2-yl)methanone is O=C(c1ccc2ccccc2n1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(quinolin-2-yl)methanone?
The InChIKey is VCMQXSSRMUQEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(18-11-5-1-2-6-12-18)15-10-9-13-7-3-4-8-14(13)17-15/h3-4,7-10H,1-2,5-6,11-12H2.
What are the key properties of azepan-1-yl(quinolin-2-yl)methanone?
azepan-1-yl(quinolin-2-yl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(quinolin-2-yl)methanone is sourced from PubChem (CID 7779308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).