3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

C25H23ClN4O4 — CID 1437359

About 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea

3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 1437359) has the molecular formula C25H23ClN4O4 and a molecular weight of 478.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
• PubChem CID: 1437359
• Molecular Formula: C25H23ClN4O4
• Molecular Weight: 478.94 g/mol
• Exact Mass: 478.14
• IUPAC Name: 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
• SMILES: COc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC
• InChI: InChI=1S/C25H23ClN4O4/c1-33-22-11-17-10-18(24(31)28-21(17)12-23(22)34-2)15-30(14-16-6-5-9-27-13-16)25(32)29-20-8-4-3-7-19(20)26/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32)
• InChIKey: HQNFBJGJQDQJNE-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 96.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.94
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The IUPAC name of 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 1437359) is 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea.

What is the SMILES notation for 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The canonical SMILES for 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is COc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC.

What is the InChIKey of 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

The InChIKey is HQNFBJGJQDQJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4/c1-33-22-11-17-10-18(24(31)28-21(17)12-23(22)34-2)15-30(14-16-6-5-9-27-13-16)25(32)29-20-8-4-3-7-19(20)26/h3-13H,14-15H2,1-2H3,(H,28,31)(H,29,32).

What are the key properties of 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea?

3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 478.94 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 1437359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).