6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one

C17H16N4O2S — CID 71942292

IUPAC6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1ccc2c(c1)CCC(=O)N2)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N4O2S/c1-10(17-20-16(21-23-17)14-3-2-8-24-14)18-12-5-6-13-11(9-12)4-7-15(22)19-13/h2-3,5-6,8-10,18H,4,7H2,1H3,(H,19,22)
InChIKeyRQBNPBDAHGNXCX-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.86
Rot. Bonds4

About 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one

6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 71942292) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID71942292
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1ccc2c(c1)CCC(=O)N2)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H16N4O2S/c1-10(17-20-16(21-23-17)14-3-2-8-24-14)18-12-5-6-13-11(9-12)4-7-15(22)19-13/h2-3,5-6,8-10,18H,4,7H2,1H3,(H,19,22)
InChIKeyRQBNPBDAHGNXCX-UHFFFAOYSA-N
XLogP3.86
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308913
2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
CID 91642725
5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 95299328
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 51078417
[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]methanol
CID 110888227
6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308649
6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 97021644
6-[1-(4-methyl-2-pyridinyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126801805
3-fluoro-4-(2-methoxyphenoxy)-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60583139
5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51118082
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 78892160

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one (CID 71942292) is 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one is CC(Nc1ccc2c(c1)CCC(=O)N2)c1nc(-c2cccs2)no1.
What is the InChIKey of 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RQBNPBDAHGNXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10(17-20-16(21-23-17)14-3-2-8-24-14)18-12-5-6-13-11(9-12)4-7-15(22)19-13/h2-3,5-6,8-10,18H,4,7H2,1H3,(H,19,22).
What are the key properties of 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 340.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 71942292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).