3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea

C24H26ClN3O3 — CID 1430395

About 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea

3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 1430395) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
• PubChem CID: 1430395
• Molecular Formula: C24H26ClN3O3
• Molecular Weight: 439.94 g/mol
• Exact Mass: 439.17
• IUPAC Name: 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
• SMILES: CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc2c1
• InChI: InChI=1S/C24H26ClN3O3/c1-2-16-9-10-21-17(12-16)13-18(23(29)26-21)14-28(15-19-6-5-11-31-19)24(30)27-22-8-4-3-7-20(22)25/h3-4,7-10,12-13,19H,2,5-6,11,14-15H2,1H3,(H,26,29)(H,27,30)/t19-/m1/s1
• InChIKey: QJTVORPYKIPPHF-LJQANCHMSA-N
• XLogP: 4.96
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.94
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

The IUPAC name of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 1430395) is 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

What is the SMILES notation for 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

The canonical SMILES for 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea is CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc2c1.

What is the InChIKey of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

The InChIKey is QJTVORPYKIPPHF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-2-16-9-10-21-17(12-16)13-18(23(29)26-21)14-28(15-19-6-5-11-31-19)24(30)27-22-8-4-3-7-20(22)25/h3-4,7-10,12-13,19H,2,5-6,11,14-15H2,1H3,(H,26,29)(H,27,30)/t19-/m1/s1.

What are the key properties of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea?

3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 439.94 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 1430395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).