2,4-dicyclohexyl-6-methoxyquinazoline

C21H28N2O — CID 23640941

IUPAC2,4-dicyclohexyl-6-methoxyquinazoline
SMILESCOc1ccc2nc(C3CCCCC3)nc(C3CCCCC3)c2c1
InChIInChI=1S/C21H28N2O/c1-24-17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)23-21(22-19)16-10-6-3-7-11-16/h12-16H,2-11H2,1H3
InChIKeyVIXXSPHYTXZGKX-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.73
Rot. Bonds3

About 2,4-dicyclohexyl-6-methoxyquinazoline

2,4-dicyclohexyl-6-methoxyquinazoline (PubChem CID 23640941) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2,4-dicyclohexyl-6-methoxyquinazoline.

Molecular Properties

Compound Name2,4-dicyclohexyl-6-methoxyquinazoline
PubChem CID23640941
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2,4-dicyclohexyl-6-methoxyquinazoline
SMILESCOc1ccc2nc(C3CCCCC3)nc(C3CCCCC3)c2c1
InChIInChI=1S/C21H28N2O/c1-24-17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)23-21(22-19)16-10-6-3-7-11-16/h12-16H,2-11H2,1H3
InChIKeyVIXXSPHYTXZGKX-UHFFFAOYSA-N
XLogP5.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dicyclohexyl-6-methoxyquinazoline 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 2,4-dicyclohexyl-6-methoxyquinazoline?
The IUPAC name of 2,4-dicyclohexyl-6-methoxyquinazoline (CID 23640941) is 2,4-dicyclohexyl-6-methoxyquinazoline.
What is the SMILES notation for 2,4-dicyclohexyl-6-methoxyquinazoline?
The canonical SMILES for 2,4-dicyclohexyl-6-methoxyquinazoline is COc1ccc2nc(C3CCCCC3)nc(C3CCCCC3)c2c1.
What is the InChIKey of 2,4-dicyclohexyl-6-methoxyquinazoline?
The InChIKey is VIXXSPHYTXZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-24-17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)23-21(22-19)16-10-6-3-7-11-16/h12-16H,2-11H2,1H3.
What are the key properties of 2,4-dicyclohexyl-6-methoxyquinazoline?
2,4-dicyclohexyl-6-methoxyquinazoline has a molecular weight of 324.47 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyclohexyl-6-methoxyquinazoline is sourced from PubChem (CID 23640941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).