4-tert-butyl-2-ethyl-6,7-dimethylquinazoline

C16H22N2 — CID 163733345

IUPAC4-tert-butyl-2-ethyl-6,7-dimethylquinazoline
SMILESCCc1nc(C(C)(C)C)c2cc(C)c(C)cc2n1
InChIInChI=1S/C16H22N2/c1-7-14-17-13-9-11(3)10(2)8-12(13)15(18-14)16(4,5)6/h8-9H,7H2,1-6H3
InChIKeyOHZUXHJBQJOUEX-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.11
Rot. Bonds1

About 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline

4-tert-butyl-2-ethyl-6,7-dimethylquinazoline (PubChem CID 163733345) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline.

Molecular Properties

Compound Name4-tert-butyl-2-ethyl-6,7-dimethylquinazoline
PubChem CID163733345
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-tert-butyl-2-ethyl-6,7-dimethylquinazoline
SMILESCCc1nc(C(C)(C)C)c2cc(C)c(C)cc2n1
InChIInChI=1S/C16H22N2/c1-7-14-17-13-9-11(3)10(2)8-12(13)15(18-14)16(4,5)6/h8-9H,7H2,1-6H3
InChIKeyOHZUXHJBQJOUEX-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline?
The IUPAC name of 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline (CID 163733345) is 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline.
What is the SMILES notation for 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline?
The canonical SMILES for 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline is CCc1nc(C(C)(C)C)c2cc(C)c(C)cc2n1.
What is the InChIKey of 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline?
The InChIKey is OHZUXHJBQJOUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-7-14-17-13-9-11(3)10(2)8-12(13)15(18-14)16(4,5)6/h8-9H,7H2,1-6H3.
What are the key properties of 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline?
4-tert-butyl-2-ethyl-6,7-dimethylquinazoline has a molecular weight of 242.37 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethyl-6,7-dimethylquinazoline is sourced from PubChem (CID 163733345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).