3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

C18H22N4O2 — CID 120853350

IUPAC3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC1(c2noc(CCC3Cc4ccccc4NC3=O)n2)CCCC1
InChIInChI=1S/C18H22N4O2/c19-18(9-3-4-10-18)17-21-15(24-22-17)8-7-13-11-12-5-1-2-6-14(12)20-16(13)23/h1-2,5-6,13H,3-4,7-11,19H2,(H,20,23)
InChIKeyIILCPXRJPVNVCV-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds4

About 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 120853350) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID120853350
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESNC1(c2noc(CCC3Cc4ccccc4NC3=O)n2)CCCC1
InChIInChI=1S/C18H22N4O2/c19-18(9-3-4-10-18)17-21-15(24-22-17)8-7-13-11-12-5-1-2-6-14(12)20-16(13)23/h1-2,5-6,13H,3-4,7-11,19H2,(H,20,23)
InChIKeyIILCPXRJPVNVCV-UHFFFAOYSA-N
XLogP2.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-[2-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 167985167
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
2-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-4H-1,4-benzothiazin-3-one
CID 120859290
1-[5-[2-(1,3-benzoxazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853951
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
1-[5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851524
1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864592
1-[5-[2-(2-fluorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852025
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
1-[5-[2-(4-bromophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120857488
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 120853350) is 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is NC1(c2noc(CCC3Cc4ccccc4NC3=O)n2)CCCC1.
What is the InChIKey of 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IILCPXRJPVNVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-18(9-3-4-10-18)17-21-15(24-22-17)8-7-13-11-12-5-1-2-6-14(12)20-16(13)23/h1-2,5-6,13H,3-4,7-11,19H2,(H,20,23).
What are the key properties of 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 120853350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).