3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea

C31H36N4O4 — CID 42723169

IUPAC3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccccc1OC)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C31H36N4O4/c1-5-7-14-21-34(31(37)33-24-17-10-12-19-27(24)38-3)25(6-2)29-32-23-16-9-8-15-22(23)30(36)35(29)26-18-11-13-20-28(26)39-4/h8-13,15-20,25H,5-7,14,21H2,1-4H3,(H,33,37)
InChIKeyBMLFLCQHBLKONU-UHFFFAOYSA-N
MW528.65 g/mol
LogP6.58
Rot. Bonds11

About 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea

3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea (PubChem CID 42723169) has the molecular formula C31H36N4O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
PubChem CID42723169
Molecular FormulaC31H36N4O4
Molecular Weight528.65 g/mol
Exact Mass528.27
IUPAC Name3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccccc1OC)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C31H36N4O4/c1-5-7-14-21-34(31(37)33-24-17-10-12-19-27(24)38-3)25(6-2)29-32-23-16-9-8-15-22(23)30(36)35(29)26-18-11-13-20-28(26)39-4/h8-13,15-20,25H,5-7,14,21H2,1-4H3,(H,33,37)
InChIKeyBMLFLCQHBLKONU-UHFFFAOYSA-N
XLogP6.58
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea 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-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The IUPAC name of 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea (CID 42723169) is 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea is CCCCCN(C(=O)Nc1ccccc1OC)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The InChIKey is BMLFLCQHBLKONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O4/c1-5-7-14-21-34(31(37)33-24-17-10-12-19-27(24)38-3)25(6-2)29-32-23-16-9-8-15-22(23)30(36)35(29)26-18-11-13-20-28(26)39-4/h8-13,15-20,25H,5-7,14,21H2,1-4H3,(H,33,37).
What are the key properties of 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea has a molecular weight of 528.65 g/mol, XLogP of 6.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea is sourced from PubChem (CID 42723169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).