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

C26H32N4O3 — CID 1138044

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

1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea (PubChem CID 1138044) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea.

Molecular Properties

• Compound Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
• PubChem CID: 1138044
• Molecular Formula: C26H32N4O3
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.25
• IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea
• SMILES: Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C
• InChI: InChI=1S/C26H32N4O3/c1-19-9-10-21-17-22(25(31)28-24(21)20(19)2)18-30(12-6-11-29-13-15-33-16-14-29)26(32)27-23-7-4-3-5-8-23/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,27,32)(H,28,31)
• InChIKey: KLDMOKSZNXABBO-UHFFFAOYSA-N
• XLogP: 3.90
• 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	448.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea (CID 1138044) is 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea.

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

The canonical SMILES for 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea is Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C.

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

The InChIKey is KLDMOKSZNXABBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-9-10-21-17-22(25(31)28-24(21)20(19)2)18-30(12-6-11-29-13-15-33-16-14-29)26(32)27-23-7-4-3-5-8-23/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,27,32)(H,28,31).

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

1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea has a molecular weight of 448.57 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea is sourced from PubChem (CID 1138044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).