4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C25H28N4O4S — CID 34803748

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESO=C(CCCc1nc(-c2ccccc2)no1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C25H28N4O4S/c30-24(12-6-11-23-26-25(27-33-23)19-8-2-1-3-9-19)29-17-7-10-20-18-21(13-14-22(20)29)34(31,32)28-15-4-5-16-28/h1-3,8-9,13-14,18H,4-7,10-12,15-17H2
InChIKeyUDFBHKPDLFRUQO-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.82
Rot. Bonds7

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 34803748) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID34803748
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESO=C(CCCc1nc(-c2ccccc2)no1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C25H28N4O4S/c30-24(12-6-11-23-26-25(27-33-23)19-8-2-1-3-9-19)29-17-7-10-20-18-21(13-14-22(20)29)34(31,32)28-15-4-5-16-28/h1-3,8-9,13-14,18H,4-7,10-12,15-17H2
InChIKeyUDFBHKPDLFRUQO-UHFFFAOYSA-N
XLogP3.82
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55623227
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 18096105
N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide
CID 55433799
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55873952
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 134030094
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 134030103
1-(2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762972
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 134047998
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 55686168
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55470677

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 34803748) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is O=C(CCCc1nc(-c2ccccc2)no1)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is UDFBHKPDLFRUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-24(12-6-11-23-26-25(27-33-23)19-8-2-1-3-9-19)29-17-7-10-20-18-21(13-14-22(20)29)34(31,32)28-15-4-5-16-28/h1-3,8-9,13-14,18H,4-7,10-12,15-17H2.
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 480.59 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 34803748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).