3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine

C18H20N4O2S — CID 46867521

IUPAC3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
SMILESCNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3
InChIInChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)20-18-16(17(19-2)21-22(12)18)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyIFUHTYLFPBCCAD-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.79
Rot. Bonds3

About 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine

3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine (PubChem CID 46867521) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
PubChem CID46867521
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
SMILESCNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3
InChIInChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)20-18-16(17(19-2)21-22(12)18)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyIFUHTYLFPBCCAD-UHFFFAOYSA-N
XLogP2.79
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
The IUPAC name of 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine (CID 46867521) is 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine is CNc1nn2c(C)c3c(nc2c1S(=O)(=O)c1ccccc1)CCCC3.
What is the InChIKey of 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
The InChIKey is IFUHTYLFPBCCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-14-10-6-7-11-15(14)20-18-16(17(19-2)21-22(12)18)25(23,24)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine?
3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine has a molecular weight of 356.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N,9-dimethyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine is sourced from PubChem (CID 46867521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).