(3-phenylazepan-1-yl)-quinolin-2-ylmethanone

C22H22N2O — CID 90608386

IUPAC(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C22H22N2O/c25-22(21-14-13-18-10-4-5-12-20(18)23-21)24-15-7-6-11-19(16-24)17-8-2-1-3-9-17/h1-5,8-10,12-14,19H,6-7,11,15-16H2
InChIKeyGMCKKHRSICESBW-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.64
Rot. Bonds2

About (3-phenylazepan-1-yl)-quinolin-2-ylmethanone

(3-phenylazepan-1-yl)-quinolin-2-ylmethanone (PubChem CID 90608386) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (3-phenylazepan-1-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
PubChem CID90608386
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C22H22N2O/c25-22(21-14-13-18-10-4-5-12-20(18)23-21)24-15-7-6-11-19(16-24)17-8-2-1-3-9-17/h1-5,8-10,12-14,19H,6-7,11,15-16H2
InChIKeyGMCKKHRSICESBW-UHFFFAOYSA-N
XLogP4.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.64
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
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
quinolin-2-yl-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55488062
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95811068

Frequently Asked Questions

What is the IUPAC name of (3-phenylazepan-1-yl)-quinolin-2-ylmethanone?
The IUPAC name of (3-phenylazepan-1-yl)-quinolin-2-ylmethanone (CID 90608386) is (3-phenylazepan-1-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (3-phenylazepan-1-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (3-phenylazepan-1-yl)-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of (3-phenylazepan-1-yl)-quinolin-2-ylmethanone?
The InChIKey is GMCKKHRSICESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(21-14-13-18-10-4-5-12-20(18)23-21)24-15-7-6-11-19(16-24)17-8-2-1-3-9-17/h1-5,8-10,12-14,19H,6-7,11,15-16H2.
What are the key properties of (3-phenylazepan-1-yl)-quinolin-2-ylmethanone?
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylazepan-1-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 90608386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).