1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea

C25H32N4O4 — CID 58738967

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea (PubChem CID 58738967) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea.

Molecular Properties

• Compound Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
• PubChem CID: 58738967
• Molecular Formula: C25H32N4O4
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.24
• IUPAC Name: 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
• SMILES: CCN(C)CCNC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C
• InChI: InChI=1S/C25H32N4O4/c1-7-29(4)11-10-27-25(30)28-19-12-17(3)22(13-16(19)2)33-21-8-9-26-20-15-24(32-6)23(31-5)14-18(20)21/h8-9,12-15H,7,10-11H2,1-6H3,(H2,27,28,30)
• InChIKey: NARMKSIFFZOOBK-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 84.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea?

The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea (CID 58738967) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea.

What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea?

The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea is CCN(C)CCNC(=O)Nc1cc(C)c(Oc2ccnc3cc(OC)c(OC)cc23)cc1C.

What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea?

The InChIKey is NARMKSIFFZOOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-7-29(4)11-10-27-25(30)28-19-12-17(3)22(13-16(19)2)33-21-8-9-26-20-15-24(32-6)23(31-5)14-18(20)21/h8-9,12-15H,7,10-11H2,1-6H3,(H2,27,28,30).

What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea?

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea has a molecular weight of 452.56 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,5-dimethylphenyl]-3-[2-[ethyl(methyl)amino]ethyl]urea is sourced from PubChem (CID 58738967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).