N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide

C23H28N6O2 — CID 177144444

About N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide (PubChem CID 177144444) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide
• PubChem CID: 177144444
• Molecular Formula: C23H28N6O2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.23
• IUPAC Name: N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide
• SMILES: CN1C(=O)CCc2cc(-c3cncc(N4CCN(CC(=O)NC5CC5)CC4)n3)ccc21
• InChI: InChI=1S/C23H28N6O2/c1-27-20-6-2-16(12-17(20)3-7-23(27)31)19-13-24-14-21(26-19)29-10-8-28(9-11-29)15-22(30)25-18-4-5-18/h2,6,12-14,18H,3-5,7-11,15H2,1H3,(H,25,30)
• InChIKey: CRCYKBZWNUHPGD-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 81.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?

The IUPAC name of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide (CID 177144444) is N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?

The canonical SMILES for N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide is CN1C(=O)CCc2cc(-c3cncc(N4CCN(CC(=O)NC5CC5)CC4)n3)ccc21.

What is the InChIKey of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?

The InChIKey is CRCYKBZWNUHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-27-20-6-2-16(12-17(20)3-7-23(27)31)19-13-24-14-21(26-19)29-10-8-28(9-11-29)15-22(30)25-18-4-5-18/h2,6,12-14,18H,3-5,7-11,15H2,1H3,(H,25,30).

What are the key properties of N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide?

N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-[6-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 177144444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).