5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline

C14H15BrFN3 — CID 134220355

IUPAC5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCN(c2ncnc3c(F)ccc(Br)c23)C1
InChIInChI=1S/C14H15BrFN3/c1-9-3-2-6-19(7-9)14-12-10(15)4-5-11(16)13(12)17-8-18-14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyQGWJYKWDGYAPCJ-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.77
Rot. Bonds1

About 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline

5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline (PubChem CID 134220355) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline
PubChem CID134220355
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCN(c2ncnc3c(F)ccc(Br)c23)C1
InChIInChI=1S/C14H15BrFN3/c1-9-3-2-6-19(7-9)14-12-10(15)4-5-11(16)13(12)17-8-18-14/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyQGWJYKWDGYAPCJ-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline?
The IUPAC name of 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline (CID 134220355) is 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline?
The canonical SMILES for 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline is CC1CCCN(c2ncnc3c(F)ccc(Br)c23)C1.
What is the InChIKey of 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline?
The InChIKey is QGWJYKWDGYAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-9-3-2-6-19(7-9)14-12-10(15)4-5-11(16)13(12)17-8-18-14/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline?
5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline has a molecular weight of 324.20 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-fluoro-4-(3-methylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 134220355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).