1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one

C18H17N3O2S — CID 45106938

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1nc2ncccc2o1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-12(24-18-20-16-15(23-18)9-4-10-19-16)17(22)21-11-5-7-13-6-2-3-8-14(13)21/h2-4,6,8-10,12H,5,7,11H2,1H3
InChIKeyZPLVXXQWHPKLMA-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.68
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one (PubChem CID 45106938) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one
PubChem CID45106938
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1nc2ncccc2o1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-12(24-18-20-16-15(23-18)9-4-10-19-16)17(22)21-11-5-7-13-6-2-3-8-14(13)21/h2-4,6,8-10,12H,5,7,11H2,1H3
InChIKeyZPLVXXQWHPKLMA-UHFFFAOYSA-N
XLogP3.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one with MolForge

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 42972144
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3878709
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 42886374
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 29248826
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 29375917
(2S)-2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2414001
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7415781
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 2483809
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 42901832
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 16507663

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one (CID 45106938) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one is CC(Sc1nc2ncccc2o1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one?
The InChIKey is ZPLVXXQWHPKLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(24-18-20-16-15(23-18)9-4-10-19-16)17(22)21-11-5-7-13-6-2-3-8-14(13)21/h2-4,6,8-10,12H,5,7,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one has a molecular weight of 339.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 45106938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).