oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H24N2O4S — CID 134030083

IUPACoxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C18H24N2O4S/c21-18(17-6-4-12-24-17)20-11-3-5-14-13-15(7-8-16(14)20)25(22,23)19-9-1-2-10-19/h7-8,13,17H,1-6,9-12H2
InChIKeyNPVRQXNPPIDOQL-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.93
Rot. Bonds3

About oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone

oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 134030083) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID134030083
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Nameoxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C18H24N2O4S/c21-18(17-6-4-12-24-17)20-11-3-5-14-13-15(7-8-16(14)20)25(22,23)19-9-1-2-10-19/h7-8,13,17H,1-6,9-12H2
InChIKeyNPVRQXNPPIDOQL-UHFFFAOYSA-N
XLogP1.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[5-[1-(oxolane-2-carbonyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305142
1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-cyclopropylpiperidine-4-carboxamide
CID 46361785
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
CID 110714045
4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17440794
[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55346931
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
[6-(2-bromobutyl)-3,4-dihydro-2H-quinolin-1-yl]-(oxolan-2-yl)methanone
CID 82259331
1-benzofuran-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26466097
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 134030083) is oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CCCO1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NPVRQXNPPIDOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-18(17-6-4-12-24-17)20-11-3-5-14-13-15(7-8-16(14)20)25(22,23)19-9-1-2-10-19/h7-8,13,17H,1-6,9-12H2.
What are the key properties of oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 134030083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).