4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C20H19N3O3S — CID 45485446

IUPAC4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3-c3[nH]ncc3C2C2CC2)cc1
InChIInChI=1S/C20H19N3O3S/c1-26-14-8-10-15(11-9-14)27(24,25)23-18-5-3-2-4-16(18)19-17(12-21-22-19)20(23)13-6-7-13/h2-5,8-13,20H,6-7H2,1H3,(H,21,22)
InChIKeySHSQQWJYNQVTHA-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds4

About 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 45485446) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID45485446
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3-c3[nH]ncc3C2C2CC2)cc1
InChIInChI=1S/C20H19N3O3S/c1-26-14-8-10-15(11-9-14)27(24,25)23-18-5-3-2-4-16(18)19-17(12-21-22-19)20(23)13-6-7-13/h2-5,8-13,20H,6-7H2,1H3,(H,21,22)
InChIKeySHSQQWJYNQVTHA-UHFFFAOYSA-N
XLogP3.75
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline 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 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 45485446) is 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is COc1ccc(S(=O)(=O)N2c3ccccc3-c3[nH]ncc3C2C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is SHSQQWJYNQVTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-14-8-10-15(11-9-14)27(24,25)23-18-5-3-2-4-16(18)19-17(12-21-22-19)20(23)13-6-7-13/h2-5,8-13,20H,6-7H2,1H3,(H,21,22).
What are the key properties of 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 381.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(4-methoxyphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 45485446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).