5,8-ditert-butylquinazoline

C16H22N2 — CID 20760010

IUPAC5,8-ditert-butylquinazoline
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2ncncc12
InChIInChI=1S/C16H22N2/c1-15(2,3)12-7-8-13(16(4,5)6)14-11(12)9-17-10-18-14/h7-10H,1-6H3
InChIKeyKGLBKSZUUUGBHA-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.22
Rot. Bonds

About 5,8-ditert-butylquinazoline

5,8-ditert-butylquinazoline (PubChem CID 20760010) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5,8-ditert-butylquinazoline.

Molecular Properties

Compound Name5,8-ditert-butylquinazoline
PubChem CID20760010
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5,8-ditert-butylquinazoline
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2ncncc12
InChIInChI=1S/C16H22N2/c1-15(2,3)12-7-8-13(16(4,5)6)14-11(12)9-17-10-18-14/h7-10H,1-6H3
InChIKeyKGLBKSZUUUGBHA-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-ditert-butylquinazoline?
The IUPAC name of 5,8-ditert-butylquinazoline (CID 20760010) is 5,8-ditert-butylquinazoline.
What is the SMILES notation for 5,8-ditert-butylquinazoline?
The canonical SMILES for 5,8-ditert-butylquinazoline is CC(C)(C)c1ccc(C(C)(C)C)c2ncncc12.
What is the InChIKey of 5,8-ditert-butylquinazoline?
The InChIKey is KGLBKSZUUUGBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-15(2,3)12-7-8-13(16(4,5)6)14-11(12)9-17-10-18-14/h7-10H,1-6H3.
What are the key properties of 5,8-ditert-butylquinazoline?
5,8-ditert-butylquinazoline has a molecular weight of 242.37 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-ditert-butylquinazoline is sourced from PubChem (CID 20760010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).