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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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).