(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

C20H19NO6S — CID 3961029

IUPAC(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C(OC1CCOC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C20H19NO6S/c22-19(27-18-11-13-26-20(18)23)15-7-9-16(10-8-15)28(24,25)21-12-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10,18H,3,5,11-13H2
InChIKeyVKYYSVOWCZHQKJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.30
Rot. Bonds4

About (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (PubChem CID 3961029) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
PubChem CID3961029
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Name(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C(OC1CCOC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C20H19NO6S/c22-19(27-18-11-13-26-20(18)23)15-7-9-16(10-8-15)28(24,25)21-12-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10,18H,3,5,11-13H2
InChIKeyVKYYSVOWCZHQKJ-UHFFFAOYSA-N
XLogP2.30
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate with MolForge

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Related Compounds

[(1R)-2-oxocyclohexyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2404125
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
[(1R)-2-oxocyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8663385
cyanomethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3487465
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 4655934
[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 39959602
1-phenylethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531627
[2-(cyclohexylamino)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531679
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
[(1S)-1-cyanoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2475156
(2S)-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]oxolane-2-carboxamide
CID 1246029
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531649

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (CID 3961029) is (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is O=C(OC1CCOC1=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The InChIKey is VKYYSVOWCZHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c22-19(27-18-11-13-26-20(18)23)15-7-9-16(10-8-15)28(24,25)21-12-3-5-14-4-1-2-6-17(14)21/h1-2,4,6-10,18H,3,5,11-13H2.
What are the key properties of (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
(2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate has a molecular weight of 401.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is sourced from PubChem (CID 3961029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).