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

C24H22ClN3O3 — CID 1462403

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

3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea (PubChem CID 1462403) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
• PubChem CID: 1462403
• Molecular Formula: C24H22ClN3O3
• Molecular Weight: 435.91 g/mol
• Exact Mass: 435.13
• IUPAC Name: 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea
• SMILES: Cc1cc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C
• InChI: InChI=1S/C24H22ClN3O3/c1-15-9-17-11-18(23(29)27-22(17)10-16(15)2)13-28(14-21-7-4-8-31-21)24(30)26-20-6-3-5-19(25)12-20/h3-12H,13-14H2,1-2H3,(H,26,30)(H,27,29)
• InChIKey: NISRFQJYDFBXKN-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 78.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.91
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea (CID 1462403) is 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea.

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

The canonical SMILES for 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea is Cc1cc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C.

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

The InChIKey is NISRFQJYDFBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-15-9-17-11-18(23(29)27-22(17)10-16(15)2)13-28(14-21-7-4-8-31-21)24(30)26-20-6-3-5-19(25)12-20/h3-12H,13-14H2,1-2H3,(H,26,30)(H,27,29).

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

3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 435.91 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 1462403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).