6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline

C15H17BrN2O — CID 170707974

IUPAC6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline
SMILESCC1(C)CC(c2ncc3cc(Br)ccc3n2)CCO1
InChIInChI=1S/C15H17BrN2O/c1-15(2)8-10(5-6-19-15)14-17-9-11-7-12(16)3-4-13(11)18-14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyNVAJUYYDWYNLBY-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.06
Rot. Bonds1

About 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline

6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline (PubChem CID 170707974) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline
PubChem CID170707974
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline
SMILESCC1(C)CC(c2ncc3cc(Br)ccc3n2)CCO1
InChIInChI=1S/C15H17BrN2O/c1-15(2)8-10(5-6-19-15)14-17-9-11-7-12(16)3-4-13(11)18-14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKeyNVAJUYYDWYNLBY-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline?
The IUPAC name of 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline (CID 170707974) is 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline.
What is the SMILES notation for 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline?
The canonical SMILES for 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline is CC1(C)CC(c2ncc3cc(Br)ccc3n2)CCO1.
What is the InChIKey of 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline?
The InChIKey is NVAJUYYDWYNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-15(2)8-10(5-6-19-15)14-17-9-11-7-12(16)3-4-13(11)18-14/h3-4,7,9-10H,5-6,8H2,1-2H3.
What are the key properties of 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline?
6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline has a molecular weight of 321.22 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2,2-dimethyloxan-4-yl)quinazoline is sourced from PubChem (CID 170707974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).