3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

C26H32N4O4 — CID 649900

IUPAC3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C26H32N4O4/c1-33-23-8-9-24-21(17-23)16-22(25(31)28-24)19-30(11-5-10-29-12-14-34-15-13-29)26(32)27-18-20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15,18-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyTYYYTOWWDJMZPS-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.97
Rot. Bonds9

About 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 649900) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
PubChem CID649900
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
SMILESCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C26H32N4O4/c1-33-23-8-9-24-21(17-23)16-22(25(31)28-24)19-30(11-5-10-29-12-14-34-15-13-29)26(32)27-18-20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15,18-19H2,1H3,(H,27,32)(H,28,31)
InChIKeyTYYYTOWWDJMZPS-UHFFFAOYSA-N
XLogP2.97
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea (CID 649900) is 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is TYYYTOWWDJMZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-23-8-9-24-21(17-23)16-22(25(31)28-24)19-30(11-5-10-29-12-14-34-15-13-29)26(32)27-18-20-6-3-2-4-7-20/h2-4,6-9,16-17H,5,10-15,18-19H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea?
3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 464.57 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 649900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).