1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide

C33H34N4O6 — CID 66669399

About 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide

1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 66669399) has the molecular formula C33H34N4O6 and a molecular weight of 582.66 g/mol. Its IUPAC name is 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide
• PubChem CID: 66669399
• Molecular Formula: C33H34N4O6
• Molecular Weight: 582.66 g/mol
• Exact Mass: 582.25
• IUPAC Name: 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide
• SMILES: COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4cccc(CN5CCOCC5)c4)cc3)c2cc1OC
• InChI: InChI=1S/C33H34N4O6/c1-40-29-19-26-27(20-30(29)41-2)35-13-10-28(26)43-25-8-6-23(7-9-25)37(32(39)33(11-12-33)31(34)38)24-5-3-4-22(18-24)21-36-14-16-42-17-15-36/h3-10,13,18-20H,11-12,14-17,21H2,1-2H3,(H2,34,38)
• InChIKey: JSPJVEUARDTUSH-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 116.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.66
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide (CID 66669399) is 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4cccc(CN5CCOCC5)c4)cc3)c2cc1OC.

What is the InChIKey of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide?

The InChIKey is JSPJVEUARDTUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O6/c1-40-29-19-26-27(20-30(29)41-2)35-13-10-28(26)43-25-8-6-23(7-9-25)37(32(39)33(11-12-33)31(34)38)24-5-3-4-22(18-24)21-36-14-16-42-17-15-36/h3-10,13,18-20H,11-12,14-17,21H2,1-2H3,(H2,34,38).

What are the key properties of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide?

1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 582.66 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-[3-(morpholin-4-ylmethyl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66669399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).