3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C19H20N4O2 — CID 95780229

IUPAC3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCC[C@H]1c1noc(C2CC2)n1
InChIInChI=1S/C19H20N4O2/c24-18-14(10-13-4-1-2-5-15(13)20-18)11-23-9-3-6-16(23)17-21-19(25-22-17)12-7-8-12/h1-2,4-5,10,12,16H,3,6-9,11H2,(H,20,24)/t16-/m0/s1
InChIKeyUQLUIIGCDOQXJJ-INIZCTEOSA-N
MW336.40 g/mol
LogP3.13
Rot. Bonds4

About 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 95780229) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID95780229
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CN1CCC[C@H]1c1noc(C2CC2)n1
InChIInChI=1S/C19H20N4O2/c24-18-14(10-13-4-1-2-5-15(13)20-18)11-23-9-3-6-16(23)17-21-19(25-22-17)12-7-8-12/h1-2,4-5,10,12,16H,3,6-9,11H2,(H,20,24)/t16-/m0/s1
InChIKeyUQLUIIGCDOQXJJ-INIZCTEOSA-N
XLogP3.13
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927
3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 128967624
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 129473497
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71928467
5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98190913
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
6,7-dimethoxy-3-[[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95207084
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 97017412
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
7-fluoro-3-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 56714046
5-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 97013190
5-cyclopropyl-3-[(2R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780252

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 95780229) is 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CN1CCC[C@H]1c1noc(C2CC2)n1.
What is the InChIKey of 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is UQLUIIGCDOQXJJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18-14(10-13-4-1-2-5-15(13)20-18)11-23-9-3-6-16(23)17-21-19(25-22-17)12-7-8-12/h1-2,4-5,10,12,16H,3,6-9,11H2,(H,20,24)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 336.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95780229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).