3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone

C24H28N2O2 — CID 109056455

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C24H28N2O2/c1-2-21-13-5-6-15-25(21)23(27)19-10-7-11-20(17-19)24(28)26-16-8-12-18-9-3-4-14-22(18)26/h3-4,7,9-11,14,17,21H,2,5-6,8,12-13,15-16H2,1H3
InChIKeyKFNLENRIEWHKMO-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.68
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone (PubChem CID 109056455) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone
PubChem CID109056455
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C24H28N2O2/c1-2-21-13-5-6-15-25(21)23(27)19-10-7-11-20(17-19)24(28)26-16-8-12-18-9-3-4-14-22(18)26/h3-4,7,9-11,14,17,21H,2,5-6,8,12-13,15-16H2,1H3
InChIKeyKFNLENRIEWHKMO-UHFFFAOYSA-N
XLogP4.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone (CID 109056455) is 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone is CCC1CCCCN1C(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone?
The InChIKey is KFNLENRIEWHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-21-13-5-6-15-25(21)23(27)19-10-7-11-20(17-19)24(28)26-16-8-12-18-9-3-4-14-22(18)26/h3-4,7,9-11,14,17,21H,2,5-6,8,12-13,15-16H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone has a molecular weight of 376.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 109056455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).