7-tert-butylquinazoline

C12H14N2 — CID 58717381

IUPAC7-tert-butylquinazoline
SMILESCC(C)(C)c1ccc2cncnc2c1
InChIInChI=1S/C12H14N2/c1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10/h4-8H,1-3H3
InChIKeyJNFWVHPPFLDPML-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.93
Rot. Bonds

About 7-tert-butylquinazoline

7-tert-butylquinazoline (PubChem CID 58717381) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-tert-butylquinazoline.

Molecular Properties

Compound Name7-tert-butylquinazoline
PubChem CID58717381
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-tert-butylquinazoline
SMILESCC(C)(C)c1ccc2cncnc2c1
InChIInChI=1S/C12H14N2/c1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10/h4-8H,1-3H3
InChIKeyJNFWVHPPFLDPML-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butylquinazoline?
The IUPAC name of 7-tert-butylquinazoline (CID 58717381) is 7-tert-butylquinazoline.
What is the SMILES notation for 7-tert-butylquinazoline?
The canonical SMILES for 7-tert-butylquinazoline is CC(C)(C)c1ccc2cncnc2c1.
What is the InChIKey of 7-tert-butylquinazoline?
The InChIKey is JNFWVHPPFLDPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-12(2,3)10-5-4-9-7-13-8-14-11(9)6-10/h4-8H,1-3H3.
What are the key properties of 7-tert-butylquinazoline?
7-tert-butylquinazoline has a molecular weight of 186.26 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylquinazoline is sourced from PubChem (CID 58717381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).