6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine

C18H22N4O2S — CID 56649284

IUPAC6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine
SMILESCc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1C
InChIInChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22)
InChIKeyCYSCYSCNHFTWFQ-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.89
Rot. Bonds3

About 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine

6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine (PubChem CID 56649284) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine
PubChem CID56649284
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine
SMILESCc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1C
InChIInChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22)
InChIKeyCYSCYSCNHFTWFQ-UHFFFAOYSA-N
XLogP3.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-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 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine (CID 56649284) is 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine is Cc1[nH]nc(Nc2ccnc3ccc(S(=O)(=O)C(C)(C)C)cc23)c1C.
What is the InChIKey of 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine?
The InChIKey is CYSCYSCNHFTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22).
What are the key properties of 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine?
6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine has a molecular weight of 358.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine is sourced from PubChem (CID 56649284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).