2-cyclohexylquinazoline

C14H16N2 — CID 22611708

IUPAC2-cyclohexylquinazoline
SMILESc1ccc2nc(C3CCCCC3)ncc2c1
InChIInChI=1S/C14H16N2/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h4-5,8-11H,1-3,6-7H2
InChIKeyJQVSFNUSJHDNGH-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.68
Rot. Bonds1

About 2-cyclohexylquinazoline

2-cyclohexylquinazoline (PubChem CID 22611708) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-cyclohexylquinazoline.

Molecular Properties

Compound Name2-cyclohexylquinazoline
PubChem CID22611708
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-cyclohexylquinazoline
SMILESc1ccc2nc(C3CCCCC3)ncc2c1
InChIInChI=1S/C14H16N2/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h4-5,8-11H,1-3,6-7H2
InChIKeyJQVSFNUSJHDNGH-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylquinazoline?
The IUPAC name of 2-cyclohexylquinazoline (CID 22611708) is 2-cyclohexylquinazoline.
What is the SMILES notation for 2-cyclohexylquinazoline?
The canonical SMILES for 2-cyclohexylquinazoline is c1ccc2nc(C3CCCCC3)ncc2c1.
What is the InChIKey of 2-cyclohexylquinazoline?
The InChIKey is JQVSFNUSJHDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-6-11(7-3-1)14-15-10-12-8-4-5-9-13(12)16-14/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 2-cyclohexylquinazoline?
2-cyclohexylquinazoline has a molecular weight of 212.30 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylquinazoline is sourced from PubChem (CID 22611708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).