1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea

C25H25N3O4 — CID 652316

About 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea

1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea (PubChem CID 652316) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
• PubChem CID: 652316
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
• SMILES: COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
• InChI: InChI=1S/C25H25N3O4/c1-16-10-11-18-13-19(24(29)27-23(18)17(16)2)14-28(15-20-7-6-12-32-20)25(30)26-21-8-4-5-9-22(21)31-3/h4-13H,14-15H2,1-3H3,(H,26,30)(H,27,29)
• InChIKey: BAHDEIDCOGEAPT-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 87.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?

The IUPAC name of 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea (CID 652316) is 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea.

What is the SMILES notation for 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?

The canonical SMILES for 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O.

What is the InChIKey of 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?

The InChIKey is BAHDEIDCOGEAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-16-10-11-18-13-19(24(29)27-23(18)17(16)2)14-28(15-20-7-6-12-32-20)25(30)26-21-8-4-5-9-22(21)31-3/h4-13H,14-15H2,1-3H3,(H,26,30)(H,27,29).

What are the key properties of 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea?

1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea has a molecular weight of 431.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 652316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).