[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

C19H17NO3S — CID 94829407

IUPAC[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H17NO3S/c21-19(23-12-13-5-3-9-22-13)15-11-17(18-8-4-10-24-18)20-16-7-2-1-6-14(15)16/h1-2,4,6-8,10-11,13H,3,5,9,12H2/t13-/m0/s1
InChIKeyJHLDSQLYXQJRPE-ZDUSSCGKSA-N
MW339.42 g/mol
LogP4.30
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 94829407) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID94829407
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H17NO3S/c21-19(23-12-13-5-3-9-22-13)15-11-17(18-8-4-10-24-18)20-16-7-2-1-6-14(15)16/h1-2,4,6-8,10-11,13H,3,5,9,12H2/t13-/m0/s1
InChIKeyJHLDSQLYXQJRPE-ZDUSSCGKSA-N
XLogP4.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 39902956
1-(oxolan-2-ylmethyl)-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiourea
CID 17375034
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2497293
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522
[2-(4-fluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218252
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
CID 2389461
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 16526301
[2-(3,5-dicarbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2569369
[2-(4-carbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2119050
(4-methylsulfanylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807552

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate (CID 94829407) is [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate is O=C(OC[C@@H]1CCCO1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is JHLDSQLYXQJRPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17NO3S/c21-19(23-12-13-5-3-9-22-13)15-11-17(18-8-4-10-24-18)20-16-7-2-1-6-14(15)16/h1-2,4,6-8,10-11,13H,3,5,9,12H2/t13-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
[(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 339.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 94829407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).