3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C19H26N2O3 — CID 56817723

IUPAC3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOC1CCN(C(=O)CCC2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C19H26N2O3/c1-2-24-16-9-11-21(12-10-16)18(22)8-7-15-13-14-5-3-4-6-17(14)20-19(15)23/h3-6,15-16H,2,7-13H2,1H3,(H,20,23)
InChIKeyKGZGHICNVBDWFI-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.61
Rot. Bonds5

About 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 56817723) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID56817723
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCOC1CCN(C(=O)CCC2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C19H26N2O3/c1-2-24-16-9-11-21(12-10-16)18(22)8-7-15-13-14-5-3-4-6-17(14)20-19(15)23/h3-6,15-16H,2,7-13H2,1H3,(H,20,23)
InChIKeyKGZGHICNVBDWFI-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211
(3S)-3-[3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 25477633
3-[3-[4-(1H-indol-3-yl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 24609034
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119577735
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 119632117
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 24633457
3-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 43044253
3-[3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 166189422
(3S)-3-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903723
3-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 47048605
(3S)-3-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903721
3-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 18146034

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 56817723) is 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is CCOC1CCN(C(=O)CCC2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KGZGHICNVBDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-24-16-9-11-21(12-10-16)18(22)8-7-15-13-14-5-3-4-6-17(14)20-19(15)23/h3-6,15-16H,2,7-13H2,1H3,(H,20,23).
What are the key properties of 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 56817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).