1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea

C22H24N4O2 — CID 70838562

IUPAC1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea
SMILESO=C(NCc1ccccc1)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c27-21-18-13-7-8-14-19(18)24-20(17-11-5-2-6-12-17)26(21)25-22(28)23-15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H2,23,25,28)
InChIKeyYNDJHPWETHYGCQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds4

About 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea

1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea (PubChem CID 70838562) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea
PubChem CID70838562
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea
SMILESO=C(NCc1ccccc1)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c27-21-18-13-7-8-14-19(18)24-20(17-11-5-2-6-12-17)26(21)25-22(28)23-15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H2,23,25,28)
InChIKeyYNDJHPWETHYGCQ-UHFFFAOYSA-N
XLogP3.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)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 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea?
The IUPAC name of 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea (CID 70838562) is 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea is O=C(NCc1ccccc1)Nn1c(C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea?
The InChIKey is YNDJHPWETHYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21-18-13-7-8-14-19(18)24-20(17-11-5-2-6-12-17)26(21)25-22(28)23-15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H2,23,25,28).
What are the key properties of 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea?
1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea has a molecular weight of 376.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea is sourced from PubChem (CID 70838562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).