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

C24H29ClN4O2 — CID 3195123

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

3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 3195123) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• PubChem CID: 3195123
• Molecular Formula: C24H29ClN4O2
• Molecular Weight: 440.98 g/mol
• Exact Mass: 440.20
• IUPAC Name: 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• SMILES: CCN(CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1
• InChI: InChI=1S/C24H29ClN4O2/c1-4-28(5-2)11-12-29(24(31)26-21-8-6-7-20(25)15-21)16-19-14-18-13-17(3)9-10-22(18)27-23(19)30/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,26,31)(H,27,30)
• InChIKey: UXMDYSWLLGCSIR-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.98
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 3195123) is 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

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

The canonical SMILES for 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is CCN(CC)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1cccc(Cl)c1.

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

The InChIKey is UXMDYSWLLGCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-4-28(5-2)11-12-29(24(31)26-21-8-6-7-20(25)15-21)16-19-14-18-13-17(3)9-10-22(18)27-23(19)30/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,26,31)(H,27,30).

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

3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 440.98 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 3195123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).