[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone

C27H29N7O — CID 162748462

About [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone

[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 162748462) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

• Compound Name: [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
• PubChem CID: 162748462
• Molecular Formula: C27H29N7O
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.24
• IUPAC Name: [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone
• SMILES: CN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc6ncccc6c5)CC4)ncnc3c2)CC1
• InChI: InChI=1S/C27H29N7O/c1-32-11-13-33(14-12-32)22-16-24-26(29-17-22)25(31-18-30-24)19-6-9-34(10-7-19)27(35)21-4-5-23-20(15-21)3-2-8-28-23/h2-5,8,15-19H,6-7,9-14H2,1H3
• InChIKey: YSRZNFYTKWJDKL-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 78.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?

The IUPAC name of [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone (CID 162748462) is [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone.

What is the SMILES notation for [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?

The canonical SMILES for [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone is CN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc6ncccc6c5)CC4)ncnc3c2)CC1.

What is the InChIKey of [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?

The InChIKey is YSRZNFYTKWJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-32-11-13-33(14-12-32)22-16-24-26(29-17-22)25(31-18-30-24)19-6-9-34(10-7-19)27(35)21-4-5-23-20(15-21)3-2-8-28-23/h2-5,8,15-19H,6-7,9-14H2,1H3.

What are the key properties of [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone?

[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 467.58 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 162748462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).