6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline

C13H12BrFN2O2S — CID 169201936

IUPAC6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1nc(OC)c2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C13H12BrFN2O2S/c1-3-20-13-16-11-8(12(17-13)18-2)6-4-19-5-7(6)9(14)10(11)15/h3-5H2,1-2H3
InChIKeyFUAHISKYDODVIQ-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.68
Rot. Bonds3

About 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline

6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline (PubChem CID 169201936) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline.

Molecular Properties

Compound Name6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline
PubChem CID169201936
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC Name6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1nc(OC)c2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C13H12BrFN2O2S/c1-3-20-13-16-11-8(12(17-13)18-2)6-4-19-5-7(6)9(14)10(11)15/h3-5H2,1-2H3
InChIKeyFUAHISKYDODVIQ-UHFFFAOYSA-N
XLogP3.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline?
The IUPAC name of 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline (CID 169201936) is 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline.
What is the SMILES notation for 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline?
The canonical SMILES for 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline is CCSc1nc(OC)c2c3c(c(Br)c(F)c2n1)COC3.
What is the InChIKey of 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline?
The InChIKey is FUAHISKYDODVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-3-20-13-16-11-8(12(17-13)18-2)6-4-19-5-7(6)9(14)10(11)15/h3-5H2,1-2H3.
What are the key properties of 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline?
6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline has a molecular weight of 359.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline is sourced from PubChem (CID 169201936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).