3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

C25H29ClN4O3 — CID 3194682

About 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea

3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 3194682) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
• PubChem CID: 3194682
• Molecular Formula: C25H29ClN4O3
• Molecular Weight: 468.99 g/mol
• Exact Mass: 468.19
• IUPAC Name: 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
• SMILES: CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1
• InChI: InChI=1S/C25H29ClN4O3/c1-2-18-7-8-22-19(15-18)16-20(24(31)27-22)17-30(10-9-29-11-13-33-14-12-29)25(32)28-23-6-4-3-5-21(23)26/h3-8,15-16H,2,9-14,17H2,1H3,(H,27,31)(H,28,32)
• InChIKey: WMXJFNQOPJQKDO-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.99
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?

The IUPAC name of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea (CID 3194682) is 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea.

What is the SMILES notation for 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?

The canonical SMILES for 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea is CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1.

What is the InChIKey of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?

The InChIKey is WMXJFNQOPJQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-2-18-7-8-22-19(15-18)16-20(24(31)27-22)17-30(10-9-29-11-13-33-14-12-29)25(32)28-23-6-4-3-5-21(23)26/h3-8,15-16H,2,9-14,17H2,1H3,(H,27,31)(H,28,32).

What are the key properties of 3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea?

3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 468.99 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 3194682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).