5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide

C18H17ClN4O4S — CID 60503012

IUPAC5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)o1
InChIInChI=1S/C18H17ClN4O4S/c19-12-1-2-13-14(11-12)21-6-5-15(13)22-7-9-23(10-8-22)28(25,26)17-4-3-16(27-17)18(20)24/h1-6,11H,7-10H2,(H2,20,24)
InChIKeyCRIXIPZRHBZPQK-UHFFFAOYSA-N
MW420.88 g/mol
LogP2.09
Rot. Bonds4

About 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 60503012) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID60503012
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC Name5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)o1
InChIInChI=1S/C18H17ClN4O4S/c19-12-1-2-13-14(11-12)21-6-5-15(13)22-7-9-23(10-8-22)28(25,26)17-4-3-16(27-17)18(20)24/h1-6,11H,7-10H2,(H2,20,24)
InChIKeyCRIXIPZRHBZPQK-UHFFFAOYSA-N
XLogP2.09
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
4-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-7-chloroquinoline
CID 2823722
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
6-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-1,4-dimethylquinoxaline-2,3-dione
CID 5301727
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 60502978
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonyl-3-methyl-2H-thiophene-2-carboxylic acid
CID 135236096
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 60503012) is 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)o1.
What is the InChIKey of 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is CRIXIPZRHBZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c19-12-1-2-13-14(11-12)21-6-5-15(13)22-7-9-23(10-8-22)28(25,26)17-4-3-16(27-17)18(20)24/h1-6,11H,7-10H2,(H2,20,24).
What are the key properties of 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 60503012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).