3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C27H34N4O3 — CID 3194631

About 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 3194631) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

• Compound Name: 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
• PubChem CID: 3194631
• Molecular Formula: C27H34N4O3
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.26
• IUPAC Name: 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
• SMILES: Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc12
• InChI: InChI=1S/C27H34N4O3/c1-20-9-10-21(2)25-24(20)17-23(26(32)29-25)19-31(12-6-11-30-13-15-34-16-14-30)27(33)28-18-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3,(H,28,33)(H,29,32)
• InChIKey: SBVLOUXPKTUAED-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

The IUPAC name of 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 3194631) is 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

What is the SMILES notation for 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

The canonical SMILES for 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is Cc1ccc(C)c2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc12.

What is the InChIKey of 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

The InChIKey is SBVLOUXPKTUAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-20-9-10-21(2)25-24(20)17-23(26(32)29-25)19-31(12-6-11-30-13-15-34-16-14-30)27(33)28-18-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3,(H,28,33)(H,29,32).

What are the key properties of 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?

3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 462.59 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 3194631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).