1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea

C23H20N4O3 — CID 18585014

IUPAC1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
SMILESCOc1ccc(Cn2c(NC(=O)Nc3ccccc3)c3ccccc3nc2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-30-18-13-11-16(12-14-18)15-27-21(19-9-5-6-10-20(19)25-23(27)29)26-22(28)24-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,24,26,28)
InChIKeyVGMJVZDVBMPRSH-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.10
Rot. Bonds5

About 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea

1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea (PubChem CID 18585014) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
PubChem CID18585014
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
SMILESCOc1ccc(Cn2c(NC(=O)Nc3ccccc3)c3ccccc3nc2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-30-18-13-11-16(12-14-18)15-27-21(19-9-5-6-10-20(19)25-23(27)29)26-22(28)24-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,24,26,28)
InChIKeyVGMJVZDVBMPRSH-UHFFFAOYSA-N
XLogP4.10
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
CID 18585063
1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 18585029
1-(2-methoxyphenyl)-3-[3-[(3-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585023
1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 8700023
1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585010
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-1-(4-methoxyphenyl)-3-phenylurea
CID 5244199
1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410355
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
N-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carboxamide
CID 1179338
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
N-(4-methoxyphenyl)-2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanylacetamide
CID 165416995
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea (CID 18585014) is 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea is COc1ccc(Cn2c(NC(=O)Nc3ccccc3)c3ccccc3nc2=O)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea?
The InChIKey is VGMJVZDVBMPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-18-13-11-16(12-14-18)15-27-21(19-9-5-6-10-20(19)25-23(27)29)26-22(28)24-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,24,26,28).
What are the key properties of 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea?
1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea has a molecular weight of 400.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea is sourced from PubChem (CID 18585014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).