3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide

C19H18N6O2S — CID 113021784

About 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide (PubChem CID 113021784) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
• PubChem CID: 113021784
• Molecular Formula: C19H18N6O2S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.12
• IUPAC Name: 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2cccc3cccnc23)nc1
• InChI: InChI=1S/C19H18N6O2S/c1-12-19(13(2)24-23-12)28(26,27)25-15-8-9-17(21-11-15)22-16-7-3-5-14-6-4-10-20-18(14)16/h3-11,25H,1-2H3,(H,21,22)(H,23,24)
• InChIKey: YQAQFYLLHJCZHY-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?

The IUPAC name of 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide (CID 113021784) is 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?

The canonical SMILES for 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Nc2cccc3cccnc23)nc1.

What is the InChIKey of 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?

The InChIKey is YQAQFYLLHJCZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-12-19(13(2)24-23-12)28(26,27)25-15-8-9-17(21-11-15)22-16-7-3-5-14-6-4-10-20-18(14)16/h3-11,25H,1-2H3,(H,21,22)(H,23,24).

What are the key properties of 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide?

3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[6-(quinolin-8-ylamino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113021784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).