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

C20H20Cl2N2O — CID 2927326

IUPAC3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1C1CCCCC1
InChIInChI=1S/C20H20Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(25)24(19)14-6-2-1-3-7-14/h4-5,8-12,14,19,23H,1-3,6-7H2
InChIKeyFNHUNCKPPUDQBN-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.89
Rot. Bonds2

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

3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2927326) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2927326
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1C1CCCCC1
InChIInChI=1S/C20H20Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(25)24(19)14-6-2-1-3-7-14/h4-5,8-12,14,19,23H,1-3,6-7H2
InChIKeyFNHUNCKPPUDQBN-UHFFFAOYSA-N
XLogP5.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one 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-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one (CID 2927326) is 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FNHUNCKPPUDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c21-13-10-11-15(17(22)12-13)19-23-18-9-5-4-8-16(18)20(25)24(19)14-6-2-1-3-7-14/h4-5,8-12,14,19,23H,1-3,6-7H2.
What are the key properties of 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one?
3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 375.30 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2927326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).