1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one

C18H18N2O2S — CID 110713610

IUPAC1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one
SMILESO=C(CCc1cccs1)N1CC(=O)N(C2CC2)c2ccccc21
InChIInChI=1S/C18H18N2O2S/c21-17(10-9-14-4-3-11-23-14)19-12-18(22)20(13-7-8-13)16-6-2-1-5-15(16)19/h1-6,11,13H,7-10,12H2
InChIKeyQIFKEVVWSZPJPV-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.22
Rot. Bonds4

About 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one

1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one (PubChem CID 110713610) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one
PubChem CID110713610
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one
SMILESO=C(CCc1cccs1)N1CC(=O)N(C2CC2)c2ccccc21
InChIInChI=1S/C18H18N2O2S/c21-17(10-9-14-4-3-11-23-14)19-12-18(22)20(13-7-8-13)16-6-2-1-5-15(16)19/h1-6,11,13H,7-10,12H2
InChIKeyQIFKEVVWSZPJPV-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110720782
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
1-[4-(cyclobutanecarbonyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 156604416
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
1-phenyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 110873874
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110868327
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-ethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 32582532

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one (CID 110713610) is 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one is O=C(CCc1cccs1)N1CC(=O)N(C2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one?
The InChIKey is QIFKEVVWSZPJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-17(10-9-14-4-3-11-23-14)19-12-18(22)20(13-7-8-13)16-6-2-1-5-15(16)19/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one?
1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one has a molecular weight of 326.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 110713610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).