(1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate

C26H31N3O5 — CID 58739000

About (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate

(1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate (PubChem CID 58739000) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate.

Molecular Properties

• Compound Name: (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
• PubChem CID: 58739000
• Molecular Formula: C26H31N3O5
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.23
• IUPAC Name: (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate
• SMILES: COc1cc2nccc(Oc3cc(C)c(NC(=O)OC4CCCN(C)C4)cc3C)c2cc1OC
• InChI: InChI=1S/C26H31N3O5/c1-16-12-23(17(2)11-20(16)28-26(30)33-18-7-6-10-29(3)15-18)34-22-8-9-27-21-14-25(32-5)24(31-4)13-19(21)22/h8-9,11-14,18H,6-7,10,15H2,1-5H3,(H,28,30)
• InChIKey: JGBHFGQXNQSAAN-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?

The IUPAC name of (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate (CID 58739000) is (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate.

What is the SMILES notation for (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?

The canonical SMILES for (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate is COc1cc2nccc(Oc3cc(C)c(NC(=O)OC4CCCN(C)C4)cc3C)c2cc1OC.

What is the InChIKey of (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?

The InChIKey is JGBHFGQXNQSAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-16-12-23(17(2)11-20(16)28-26(30)33-18-7-6-10-29(3)15-18)34-22-8-9-27-21-14-25(32-5)24(31-4)13-19(21)22/h8-9,11-14,18H,6-7,10,15H2,1-5H3,(H,28,30).

What are the key properties of (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate?

(1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate has a molecular weight of 465.55 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpiperidin-3-yl) N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]carbamate is sourced from PubChem (CID 58739000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).