3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide

C30H32N6O — CID 67035302

About 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide

3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide (PubChem CID 67035302) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
• PubChem CID: 67035302
• Molecular Formula: C30H32N6O
• Molecular Weight: 492.63 g/mol
• Exact Mass: 492.26
• IUPAC Name: 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
• SMILES: O=C(CCC1CC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1
• InChI: InChI=1S/C30H32N6O/c37-30(12-5-22-3-4-22)33-26-9-6-24(7-10-26)25-8-11-27-28(18-25)34-29(20-32-27)36-16-14-35(15-17-36)21-23-2-1-13-31-19-23/h1-2,6-11,13,18-20,22H,3-5,12,14-17,21H2,(H,33,37)
• InChIKey: FLKRCJUUCJYKSJ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.63
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?

The IUPAC name of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide (CID 67035302) is 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide.

What is the SMILES notation for 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?

The canonical SMILES for 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide is O=C(CCC1CC1)Nc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1.

What is the InChIKey of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?

The InChIKey is FLKRCJUUCJYKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c37-30(12-5-22-3-4-22)33-26-9-6-24(7-10-26)25-8-11-27-28(18-25)34-29(20-32-27)36-16-14-35(15-17-36)21-23-2-1-13-31-19-23/h1-2,6-11,13,18-20,22H,3-5,12,14-17,21H2,(H,33,37).

What are the key properties of 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide?

3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide has a molecular weight of 492.63 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide is sourced from PubChem (CID 67035302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).