3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one

C21H16Cl2N2O — CID 2888779

IUPAC3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1
InChIInChI=1S/C21H16Cl2N2O/c22-15-10-11-16(18(23)12-15)20-24-19-9-5-4-8-17(19)21(26)25(20)13-14-6-2-1-3-7-14/h1-12,20,24H,13H2
InChIKeyJXYJXIFBZNKALM-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.76
Rot. Bonds3

About 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one

3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2888779) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2888779
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1
InChIInChI=1S/C21H16Cl2N2O/c22-15-10-11-16(18(23)12-15)20-24-19-9-5-4-8-17(19)21(26)25(20)13-14-6-2-1-3-7-14/h1-12,20,24H,13H2
InChIKeyJXYJXIFBZNKALM-UHFFFAOYSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one (CID 2888779) is 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JXYJXIFBZNKALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c22-15-10-11-16(18(23)12-15)20-24-19-9-5-4-8-17(19)21(26)25(20)13-14-6-2-1-3-7-14/h1-12,20,24H,13H2.
What are the key properties of 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 383.28 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).