3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one

C19H24N2O2 — CID 110355917

IUPAC3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCCC1CCCCN1C(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H24N2O2/c1-2-16-8-5-6-12-21(16)18(22)11-10-15-13-14-7-3-4-9-17(14)20-19(15)23/h3-4,7,9,13,16H,2,5-6,8,10-12H2,1H3,(H,20,23)
InChIKeyFHBQYUGHXWIDDM-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.25
Rot. Bonds4

About 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one

3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110355917) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110355917
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCCC1CCCCN1C(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H24N2O2/c1-2-16-8-5-6-12-21(16)18(22)11-10-15-13-14-7-3-4-9-17(14)20-19(15)23/h3-4,7,9,13,16H,2,5-6,8,10-12H2,1H3,(H,20,23)
InChIKeyFHBQYUGHXWIDDM-UHFFFAOYSA-N
XLogP3.25
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
3-[3-[3-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424560
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103360
N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103351
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174888
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
3-[3-oxo-3-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propyl]-1H-quinolin-2-one
CID 110355057
4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (CID 110355917) is 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is CCC1CCCCN1C(=O)CCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is FHBQYUGHXWIDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-16-8-5-6-12-21(16)18(22)11-10-15-13-14-7-3-4-9-17(14)20-19(15)23/h3-4,7,9,13,16H,2,5-6,8,10-12H2,1H3,(H,20,23).
What are the key properties of 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110355917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).