1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide

C34H31N7O — CID 67035150

About 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide

1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide (PubChem CID 67035150) has the molecular formula C34H31N7O and a molecular weight of 553.67 g/mol. Its IUPAC name is 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide
• PubChem CID: 67035150
• Molecular Formula: C34H31N7O
• Molecular Weight: 553.67 g/mol
• Exact Mass: 553.26
• IUPAC Name: 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide
• SMILES: Cn1c(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)cc2ccccc21
• InChI: InChI=1S/C34H31N7O/c1-39-31-7-3-2-6-27(31)20-32(39)34(42)37-28-11-8-25(9-12-28)26-10-13-29-30(19-26)38-33(22-36-29)41-17-15-40(16-18-41)23-24-5-4-14-35-21-24/h2-14,19-22H,15-18,23H2,1H3,(H,37,42)
• InChIKey: KXEJIZCETJAUJE-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.67
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide?

The IUPAC name of 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide (CID 67035150) is 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide.

What is the SMILES notation for 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide?

The canonical SMILES for 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(-c3ccc4ncc(N5CCN(Cc6cccnc6)CC5)nc4c3)cc2)cc2ccccc21.

What is the InChIKey of 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide?

The InChIKey is KXEJIZCETJAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N7O/c1-39-31-7-3-2-6-27(31)20-32(39)34(42)37-28-11-8-25(9-12-28)26-10-13-29-30(19-26)38-33(22-36-29)41-17-15-40(16-18-41)23-24-5-4-14-35-21-24/h2-14,19-22H,15-18,23H2,1H3,(H,37,42).

What are the key properties of 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide?

1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide has a molecular weight of 553.67 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide is sourced from PubChem (CID 67035150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).