3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione

C22H17ClN2O2 — CID 15988196

IUPAC3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H17ClN2O2/c23-18-10-6-9-17(13-18)15-24-20-12-5-4-11-19(20)21(26)25(22(24)27)14-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKeyWPSVGVSGESMQCD-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.91
Rot. Bonds4

About 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione

3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione (PubChem CID 15988196) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione
PubChem CID15988196
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C22H17ClN2O2/c23-18-10-6-9-17(13-18)15-24-20-12-5-4-11-19(20)21(26)25(22(24)27)14-16-7-2-1-3-8-16/h1-13H,14-15H2
InChIKeyWPSVGVSGESMQCD-UHFFFAOYSA-N
XLogP3.91
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione (CID 15988196) is 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione?
The InChIKey is WPSVGVSGESMQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-18-10-6-9-17(13-18)15-24-20-12-5-4-11-19(20)21(26)25(22(24)27)14-16-7-2-1-3-8-16/h1-13H,14-15H2.
What are the key properties of 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione?
3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione has a molecular weight of 376.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(3-chlorophenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 15988196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).