3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C26H31ClN4O3 — CID 1170554

About 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 1170554) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
• PubChem CID: 1170554
• Molecular Formula: C26H31ClN4O3
• Molecular Weight: 483.01 g/mol
• Exact Mass: 482.21
• IUPAC Name: 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
• SMILES: Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C
• InChI: InChI=1S/C26H31ClN4O3/c1-18-7-8-20-15-21(25(32)29-24(20)19(18)2)17-31(10-4-9-30-11-13-34-14-12-30)26(33)28-23-6-3-5-22(27)16-23/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,28,33)(H,29,32)
• InChIKey: KKAMGOFPDYOQCE-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.01
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

The IUPAC name of 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 1170554) is 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

What is the SMILES notation for 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

The canonical SMILES for 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C.

What is the InChIKey of 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

The InChIKey is KKAMGOFPDYOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-18-7-8-20-15-21(25(32)29-24(20)19(18)2)17-31(10-4-9-30-11-13-34-14-12-30)26(33)28-23-6-3-5-22(27)16-23/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,28,33)(H,29,32).

What are the key properties of 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 483.01 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 1170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).