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

C34H34N4O4 — CID 45488999

IUPAC3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C34H34N4O4/c1-4-28(32-35-26-17-9-8-16-25(26)33(39)38(32)29-19-11-13-21-31(29)42-3)37(23-22-24-14-6-5-7-15-24)34(40)36-27-18-10-12-20-30(27)41-2/h5-21,28H,4,22-23H2,1-3H3,(H,36,40)
InChIKeyXMIBQNMXDIMYFX-UHFFFAOYSA-N
MW562.67 g/mol
LogP6.63
Rot. Bonds10

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

3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea (PubChem CID 45488999) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
PubChem CID45488999
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C34H34N4O4/c1-4-28(32-35-26-17-9-8-16-25(26)33(39)38(32)29-19-11-13-21-31(29)42-3)37(23-22-24-14-6-5-7-15-24)34(40)36-27-18-10-12-20-30(27)41-2/h5-21,28H,4,22-23H2,1-3H3,(H,36,40)
InChIKeyXMIBQNMXDIMYFX-UHFFFAOYSA-N
XLogP6.63
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)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-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea?
The IUPAC name of 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea (CID 45488999) is 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1OC)N(CCc1ccccc1)C(=O)Nc1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea?
The InChIKey is XMIBQNMXDIMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-4-28(32-35-26-17-9-8-16-25(26)33(39)38(32)29-19-11-13-21-31(29)42-3)37(23-22-24-14-6-5-7-15-24)34(40)36-27-18-10-12-20-30(27)41-2/h5-21,28H,4,22-23H2,1-3H3,(H,36,40).
What are the key properties of 3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea?
3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea has a molecular weight of 562.67 g/mol, XLogP of 6.63, 10 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-(2-phenylethyl)urea is sourced from PubChem (CID 45488999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).