5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide

C21H19N5O6S — CID 21092634

IUPAC5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide
SMILESCC(=O)N1Cc2c(C(N)=O)nn(-c3ccc4c(c3)OCO4)c2-c2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C21H19N5O6S/c1-11(27)25-9-15-19(21(22)28)23-26(13-4-6-17-18(8-13)32-10-31-17)20(15)14-7-12(3-5-16(14)25)24-33(2,29)30/h3-8,24H,9-10H2,1-2H3,(H2,22,28)
InChIKeyIVUIRORISKYCNT-UHFFFAOYSA-N
MW469.48 g/mol
LogP1.60
Rot. Bonds4

About 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide

5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide (PubChem CID 21092634) has the molecular formula C21H19N5O6S and a molecular weight of 469.48 g/mol. Its IUPAC name is 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide
PubChem CID21092634
Molecular FormulaC21H19N5O6S
Molecular Weight469.48 g/mol
Exact Mass469.11
IUPAC Name5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide
SMILESCC(=O)N1Cc2c(C(N)=O)nn(-c3ccc4c(c3)OCO4)c2-c2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C21H19N5O6S/c1-11(27)25-9-15-19(21(22)28)23-26(13-4-6-17-18(8-13)32-10-31-17)20(15)14-7-12(3-5-16(14)25)24-33(2,29)30/h3-8,24H,9-10H2,1-2H3,(H2,22,28)
InChIKeyIVUIRORISKYCNT-UHFFFAOYSA-N
XLogP1.60
TPSA145.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
The IUPAC name of 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide (CID 21092634) is 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide.
What is the SMILES notation for 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
The canonical SMILES for 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide is CC(=O)N1Cc2c(C(N)=O)nn(-c3ccc4c(c3)OCO4)c2-c2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
The InChIKey is IVUIRORISKYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6S/c1-11(27)25-9-15-19(21(22)28)23-26(13-4-6-17-18(8-13)32-10-31-17)20(15)14-7-12(3-5-16(14)25)24-33(2,29)30/h3-8,24H,9-10H2,1-2H3,(H2,22,28).
What are the key properties of 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide?
5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(1,3-benzodioxol-5-yl)-8-(methanesulfonamido)-4H-pyrazolo[4,5-c]quinoline-3-carboxamide is sourced from PubChem (CID 21092634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).