3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one

C20H24N4O3 — CID 166270647

IUPAC3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
SMILESO=C([C@@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O)N1CCNCC1
InChIInChI=1S/C20H24N4O3/c25-18(13-15-12-14-4-1-2-5-16(14)22-19(15)26)24-9-3-6-17(24)20(27)23-10-7-21-8-11-23/h1-2,4-5,12,17,21H,3,6-11,13H2,(H,22,26)/t17-/m0/s1
InChIKeyRPNACLOFWUKBTD-KRWDZBQOSA-N
MW368.44 g/mol
LogP0.49
Rot. Bonds3

About 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one

3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one (PubChem CID 166270647) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
PubChem CID166270647
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
SMILESO=C([C@@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O)N1CCNCC1
InChIInChI=1S/C20H24N4O3/c25-18(13-15-12-14-4-1-2-5-16(14)22-19(15)26)24-9-3-6-17(24)20(27)23-10-7-21-8-11-23/h1-2,4-5,12,17,21H,3,6-11,13H2,(H,22,26)/t17-/m0/s1
InChIKeyRPNACLOFWUKBTD-KRWDZBQOSA-N
XLogP0.49
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one with MolForge

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Related Compounds

(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 124628242
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
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
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]but-3-en-1-one
CID 62677215
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
(3S)-2-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125151333
1-[2-(4-aminopiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenylethanone
CID 119374745
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one (CID 166270647) is 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one is O=C([C@@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O)N1CCNCC1.
What is the InChIKey of 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one?
The InChIKey is RPNACLOFWUKBTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18(13-15-12-14-4-1-2-5-16(14)22-19(15)26)24-9-3-6-17(24)20(27)23-10-7-21-8-11-23/h1-2,4-5,12,17,21H,3,6-11,13H2,(H,22,26)/t17-/m0/s1.
What are the key properties of 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one?
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one has a molecular weight of 368.44 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 166270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).