6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one

C17H22N4O2 — CID 34308913

IUPAC6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H22N4O2/c1-10(15-20-16(21-23-15)17(2,3)4)18-12-6-7-13-11(9-12)5-8-14(22)19-13/h6-7,9-10,18H,5,8H2,1-4H3,(H,19,22)/t10-/m0/s1
InChIKeyLZLVWHNBRIYIGE-JTQLQIEISA-N
MW314.39 g/mol
LogP3.42
Rot. Bonds3

About 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 34308913) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID34308913
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(C(C)(C)C)no1
InChIInChI=1S/C17H22N4O2/c1-10(15-20-16(21-23-15)17(2,3)4)18-12-6-7-13-11(9-12)5-8-14(22)19-13/h6-7,9-10,18H,5,8H2,1-4H3,(H,19,22)/t10-/m0/s1
InChIKeyLZLVWHNBRIYIGE-JTQLQIEISA-N
XLogP3.42
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
6-[1-(4-methyl-2-pyridinyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126801805
6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308649
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 97021644
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
N-[4-[[(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
CID 34284478
N-[4-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2-methylphenyl]acetamide
CID 34284484
6-[1-(5-ethylthiophen-2-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 61335706
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 71896511
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 34308913) is 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one is C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(C(C)(C)C)no1.
What is the InChIKey of 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LZLVWHNBRIYIGE-JTQLQIEISA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10(15-20-16(21-23-15)17(2,3)4)18-12-6-7-13-11(9-12)5-8-14(22)19-13/h6-7,9-10,18H,5,8H2,1-4H3,(H,19,22)/t10-/m0/s1.
What are the key properties of 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 314.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 34308913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).