5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C23H26ClN7S — CID 137431248

About 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 137431248) has the molecular formula C23H26ClN7S and a molecular weight of 468.03 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 137431248
• Molecular Formula: C23H26ClN7S
• Molecular Weight: 468.03 g/mol
• Exact Mass: 467.17
• IUPAC Name: 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: CCN(CC)CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N
• InChI: InChI=1S/C23H26ClN7S/c1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27)
• InChIKey: HANGTSKGKZCEKM-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 85.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.03
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 137431248) is 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is CCN(CC)CCSc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.

What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is HANGTSKGKZCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7S/c1-4-31(5-2)11-12-32-23-22(25)27-21(18-8-10-30(3)29-18)20(28-23)16-13-15-7-6-9-26-19(15)17(24)14-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,25,27).

What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 468.03 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-chloroquinolin-6-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 137431248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).