1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C18H26N2O — CID 109033505

IUPAC1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCCCC1
InChIInChI=1S/C18H26N2O/c21-18(20-12-5-1-2-6-13-20)11-15-19-14-7-9-16-8-3-4-10-17(16)19/h3-4,8,10H,1-2,5-7,9,11-15H2
InChIKeyJZJFYCPGNGWZPW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.23
Rot. Bonds3

About 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 109033505) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID109033505
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCN1CCCc2ccccc21)N1CCCCCC1
InChIInChI=1S/C18H26N2O/c21-18(20-12-5-1-2-6-13-20)11-15-19-14-7-9-16-8-3-4-10-17(16)19/h3-4,8,10H,1-2,5-7,9,11-15H2
InChIKeyJZJFYCPGNGWZPW-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029285
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 39284028
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 109033505) is 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is O=C(CCN1CCCc2ccccc21)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is JZJFYCPGNGWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(20-12-5-1-2-6-13-20)11-15-19-14-7-9-16-8-3-4-10-17(16)19/h3-4,8,10H,1-2,5-7,9,11-15H2.
What are the key properties of 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 109033505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).