[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone

C23H22N4O4S — CID 70343227

IUPAC[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4ccco4)cc(C(=O)n4ccnc4)c3c2)CC1
InChIInChI=1S/C23H22N4O4S/c1-16-6-9-27(10-7-16)32(29,30)17-4-5-20-18(13-17)19(23(28)26-11-8-24-15-26)14-21(25-20)22-3-2-12-31-22/h2-5,8,11-16H,6-7,9-10H2,1H3
InChIKeyVWVGSIUYELOZIV-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.80
Rot. Bonds4

About [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone

[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone (PubChem CID 70343227) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone
PubChem CID70343227
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone
SMILESCC1CCN(S(=O)(=O)c2ccc3nc(-c4ccco4)cc(C(=O)n4ccnc4)c3c2)CC1
InChIInChI=1S/C23H22N4O4S/c1-16-6-9-27(10-7-16)32(29,30)17-4-5-20-18(13-17)19(23(28)26-11-8-24-15-26)14-21(25-20)22-3-2-12-31-22/h2-5,8,11-16H,6-7,9-10H2,1H3
InChIKeyVWVGSIUYELOZIV-UHFFFAOYSA-N
XLogP3.80
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-6-pyrrolidin-1-ylsulfonylquinoline-4-carboxylic acid
CID 3494841
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 70343200
1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
CID 168527732
6-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 20968590
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968613
N-[3-(3-methylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53204657
N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 20968660
6-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968612
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 51291729
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone?
The IUPAC name of [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone (CID 70343227) is [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone is CC1CCN(S(=O)(=O)c2ccc3nc(-c4ccco4)cc(C(=O)n4ccnc4)c3c2)CC1.
What is the InChIKey of [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone?
The InChIKey is VWVGSIUYELOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-16-6-9-27(10-7-16)32(29,30)17-4-5-20-18(13-17)19(23(28)26-11-8-24-15-26)14-21(25-20)22-3-2-12-31-22/h2-5,8,11-16H,6-7,9-10H2,1H3.
What are the key properties of [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone?
[2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone has a molecular weight of 450.52 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-4-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 70343227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).