5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline

C13H14BrN3 — CID 165498646

IUPAC5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline
SMILESCC1(C)CN(c2ncc3c(Br)cccc3n2)C1
InChIInChI=1S/C13H14BrN3/c1-13(2)7-17(8-13)12-15-6-9-10(14)4-3-5-11(9)16-12/h3-6H,7-8H2,1-2H3
InChIKeyCBLROGPYDYZHGW-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.24
Rot. Bonds1

About 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline

5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline (PubChem CID 165498646) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline.

Molecular Properties

Compound Name5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline
PubChem CID165498646
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline
SMILESCC1(C)CN(c2ncc3c(Br)cccc3n2)C1
InChIInChI=1S/C13H14BrN3/c1-13(2)7-17(8-13)12-15-6-9-10(14)4-3-5-11(9)16-12/h3-6H,7-8H2,1-2H3
InChIKeyCBLROGPYDYZHGW-UHFFFAOYSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline?
The IUPAC name of 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline (CID 165498646) is 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline.
What is the SMILES notation for 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline?
The canonical SMILES for 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline is CC1(C)CN(c2ncc3c(Br)cccc3n2)C1.
What is the InChIKey of 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline?
The InChIKey is CBLROGPYDYZHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-13(2)7-17(8-13)12-15-6-9-10(14)4-3-5-11(9)16-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline?
5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline has a molecular weight of 292.18 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,3-dimethylazetidin-1-yl)quinazoline is sourced from PubChem (CID 165498646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).