2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide

C15H17N5O2S — CID 174164061

IUPAC2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide
SMILESCc1ccc2nc(-c3cn[nH]c3)cc(NCCS(N)(=O)=O)c2c1
InChIInChI=1S/C15H17N5O2S/c1-10-2-3-13-12(6-10)15(17-4-5-23(16,21)22)7-14(20-13)11-8-18-19-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyFDORWQVPYNKZNB-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.63
Rot. Bonds5

About 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide

2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide (PubChem CID 174164061) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide
PubChem CID174164061
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide
SMILESCc1ccc2nc(-c3cn[nH]c3)cc(NCCS(N)(=O)=O)c2c1
InChIInChI=1S/C15H17N5O2S/c1-10-2-3-13-12(6-10)15(17-4-5-23(16,21)22)7-14(20-13)11-8-18-19-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyFDORWQVPYNKZNB-UHFFFAOYSA-N
XLogP1.63
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide 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 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide (CID 174164061) is 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide is Cc1ccc2nc(-c3cn[nH]c3)cc(NCCS(N)(=O)=O)c2c1.
What is the InChIKey of 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide?
The InChIKey is FDORWQVPYNKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10-2-3-13-12(6-10)15(17-4-5-23(16,21)22)7-14(20-13)11-8-18-19-9-11/h2-3,6-9H,4-5H2,1H3,(H,17,20)(H,18,19)(H2,16,21,22).
What are the key properties of 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide?
2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 174164061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).