4-cyclohexyl-6-methoxy-2-phenylquinazoline

C21H22N2O — CID 23640939

IUPAC4-cyclohexyl-6-methoxy-2-phenylquinazoline
SMILESCOc1ccc2nc(-c3ccccc3)nc(C3CCCCC3)c2c1
InChIInChI=1S/C21H22N2O/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/h3,6-7,10-15H,2,4-5,8-9H2,1H3
InChIKeyNFIFLUTXTUUVDK-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.35
Rot. Bonds3

About 4-cyclohexyl-6-methoxy-2-phenylquinazoline

4-cyclohexyl-6-methoxy-2-phenylquinazoline (PubChem CID 23640939) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-cyclohexyl-6-methoxy-2-phenylquinazoline.

Molecular Properties

Compound Name4-cyclohexyl-6-methoxy-2-phenylquinazoline
PubChem CID23640939
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-cyclohexyl-6-methoxy-2-phenylquinazoline
SMILESCOc1ccc2nc(-c3ccccc3)nc(C3CCCCC3)c2c1
InChIInChI=1S/C21H22N2O/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/h3,6-7,10-15H,2,4-5,8-9H2,1H3
InChIKeyNFIFLUTXTUUVDK-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-methoxy-2-phenylquinazoline?
The IUPAC name of 4-cyclohexyl-6-methoxy-2-phenylquinazoline (CID 23640939) is 4-cyclohexyl-6-methoxy-2-phenylquinazoline.
What is the SMILES notation for 4-cyclohexyl-6-methoxy-2-phenylquinazoline?
The canonical SMILES for 4-cyclohexyl-6-methoxy-2-phenylquinazoline is COc1ccc2nc(-c3ccccc3)nc(C3CCCCC3)c2c1.
What is the InChIKey of 4-cyclohexyl-6-methoxy-2-phenylquinazoline?
The InChIKey is NFIFLUTXTUUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/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/h3,6-7,10-15H,2,4-5,8-9H2,1H3.
What are the key properties of 4-cyclohexyl-6-methoxy-2-phenylquinazoline?
4-cyclohexyl-6-methoxy-2-phenylquinazoline has a molecular weight of 318.42 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-methoxy-2-phenylquinazoline is sourced from PubChem (CID 23640939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).