3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea

C22H25N3O3 — CID 1462381

About 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea

3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 1462381) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

• Compound Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
• PubChem CID: 1462381
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea
• SMILES: Cc1cc2cc(CN(CCO)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C
• InChI: InChI=1S/C22H25N3O3/c1-15-10-18-12-19(21(27)24-20(18)11-16(15)2)14-25(8-9-26)22(28)23-13-17-6-4-3-5-7-17/h3-7,10-12,26H,8-9,13-14H2,1-2H3,(H,23,28)(H,24,27)
• InChIKey: GBHATSWRYIQLEL-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 85.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea (CID 1462381) is 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea.

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

The canonical SMILES for 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea is Cc1cc2cc(CN(CCO)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C.

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

The InChIKey is GBHATSWRYIQLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-10-18-12-19(21(27)24-20(18)11-16(15)2)14-25(8-9-26)22(28)23-13-17-6-4-3-5-7-17/h3-7,10-12,26H,8-9,13-14H2,1-2H3,(H,23,28)(H,24,27).

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

3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 379.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 1462381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).