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

C19H21N3O3 — CID 1459288

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

1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1459288) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• PubChem CID: 1459288
• Molecular Formula: C19H21N3O3
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.16
• IUPAC Name: 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• SMILES: Cc1cccc2cc(CN(Cc3ccco3)C(=O)N(C)C)c(=O)[nH]c12
• InChI: InChI=1S/C19H21N3O3/c1-13-6-4-7-14-10-15(18(23)20-17(13)14)11-22(19(24)21(2)3)12-16-8-5-9-25-16/h4-10H,11-12H2,1-3H3,(H,20,23)
• InChIKey: KKGXIXYRKWCBPX-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 69.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1459288) is 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

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

The canonical SMILES for 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cccc2cc(CN(Cc3ccco3)C(=O)N(C)C)c(=O)[nH]c12.

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

The InChIKey is KKGXIXYRKWCBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-6-4-7-14-10-15(18(23)20-17(13)14)11-22(19(24)21(2)3)12-16-8-5-9-25-16/h4-10H,11-12H2,1-3H3,(H,20,23).

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

1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1459288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).