1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide

C21H24N6O2 — CID 118948253

About 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 118948253) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide
• PubChem CID: 118948253
• Molecular Formula: C21H24N6O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.20
• IUPAC Name: 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide
• SMILES: CCCC1C(Nc2cnc(C#N)cn2)c2cc(C(N)=O)ccc2N(C(C)=O)C1C
• InChI: InChI=1S/C21H24N6O2/c1-4-5-16-12(2)27(13(3)28)18-7-6-14(21(23)29)8-17(18)20(16)26-19-11-24-15(9-22)10-25-19/h6-8,10-12,16,20H,4-5H2,1-3H3,(H2,23,29)(H,25,26)
• InChIKey: YXXNJQNCDROKDY-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 125.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The IUPAC name of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 118948253) is 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide.

What is the SMILES notation for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The canonical SMILES for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide is CCCC1C(Nc2cnc(C#N)cn2)c2cc(C(N)=O)ccc2N(C(C)=O)C1C.

What is the InChIKey of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?

The InChIKey is YXXNJQNCDROKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-4-5-16-12(2)27(13(3)28)18-7-6-14(21(23)29)8-17(18)20(16)26-19-11-24-15(9-22)10-25-19/h6-8,10-12,16,20H,4-5H2,1-3H3,(H2,23,29)(H,25,26).

What are the key properties of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide?

1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 118948253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).