4-cyclohexyl-2-phenylquinazoline

C20H20N2 — CID 23640938

IUPAC4-cyclohexyl-2-phenylquinazoline
SMILESc1ccc(-c2nc(C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyPZXJVBUHBNWQIT-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.34
Rot. Bonds2

About 4-cyclohexyl-2-phenylquinazoline

4-cyclohexyl-2-phenylquinazoline (PubChem CID 23640938) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-cyclohexyl-2-phenylquinazoline.

Molecular Properties

Compound Name4-cyclohexyl-2-phenylquinazoline
PubChem CID23640938
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-cyclohexyl-2-phenylquinazoline
SMILESc1ccc(-c2nc(C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2
InChIKeyPZXJVBUHBNWQIT-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-phenylquinazoline?
The IUPAC name of 4-cyclohexyl-2-phenylquinazoline (CID 23640938) is 4-cyclohexyl-2-phenylquinazoline.
What is the SMILES notation for 4-cyclohexyl-2-phenylquinazoline?
The canonical SMILES for 4-cyclohexyl-2-phenylquinazoline is c1ccc(-c2nc(C3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-cyclohexyl-2-phenylquinazoline?
The InChIKey is PZXJVBUHBNWQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(22-19)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2.
What are the key properties of 4-cyclohexyl-2-phenylquinazoline?
4-cyclohexyl-2-phenylquinazoline has a molecular weight of 288.39 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-phenylquinazoline is sourced from PubChem (CID 23640938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).