1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C24H30N4O3 — CID 3195120

About 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 3195120) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• PubChem CID: 3195120
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
• SMILES: COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
• InChI: InChI=1S/C24H30N4O3/c1-17-6-11-22-18(14-17)15-19(23(29)26-22)16-28(13-5-12-27(2)3)24(30)25-20-7-9-21(31-4)10-8-20/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,25,30)(H,26,29)
• InChIKey: UCCQYNLNCMQMTK-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 3195120) is 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1.

What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

The InChIKey is UCCQYNLNCMQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-6-11-22-18(14-17)15-19(23(29)26-22)16-28(13-5-12-27(2)3)24(30)25-20-7-9-21(31-4)10-8-20/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,25,30)(H,26,29).

What are the key properties of 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?

1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 422.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 3195120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).