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

C12H10BrFN2OS — CID 169201864

IUPAC6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1ncc2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C12H10BrFN2OS/c1-2-18-12-15-3-6-7-4-17-5-8(7)9(13)10(14)11(6)16-12/h3H,2,4-5H2,1H3
InChIKeyOEUBZADLIXSGQR-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.67
Rot. Bonds2

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

6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline (PubChem CID 169201864) has the molecular formula C12H10BrFN2OS and a molecular weight of 329.19 g/mol. Its IUPAC name is 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline.

Molecular Properties

Compound Name6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
PubChem CID169201864
Molecular FormulaC12H10BrFN2OS
Molecular Weight329.19 g/mol
Exact Mass327.97
IUPAC Name6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1ncc2c3c(c(Br)c(F)c2n1)COC3
InChIInChI=1S/C12H10BrFN2OS/c1-2-18-12-15-3-6-7-4-17-5-8(7)9(13)10(14)11(6)16-12/h3H,2,4-5H2,1H3
InChIKeyOEUBZADLIXSGQR-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-ethylsulfanyl-5-fluoro-1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201825
6-Bromo-1-chloro-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201857
6-Bromo-1-chloro-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201889
6-Bromo-3-ethylsulfanyl-5-fluoro-1-methoxy-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201936
2-(6-Bromo-1-chloro-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-9-yl)acetonitrile
CID 169201937
6-bromo-5-fluoro-3-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201941
6-Bromo-1-chloro-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201943
6-Bromo-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169202043
6-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
CID 169202586
6-Bromo-5-fluoro-3-methoxy-7,9-dihydrofuro[3,4-f]quinazoline
CID 170284455
6-bromo-3-ethylsulfanyl-5-fluoro-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-7,9-dihydrofuro[3,4-f]quinazolin-1-amine
CID 170285623
6-Bromo-1-chloro-3-ethylsulfanyl-5-fluoro-9-(isocyanomethyl)-7,9-dihydrofuro[3,4-f]quinazoline
CID 170689560

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline?
The IUPAC name of 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline (CID 169201864) is 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline.
What is the SMILES notation for 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline?
The canonical SMILES for 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline is CCSc1ncc2c3c(c(Br)c(F)c2n1)COC3.
What is the InChIKey of 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline?
The InChIKey is OEUBZADLIXSGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2OS/c1-2-18-12-15-3-6-7-4-17-5-8(7)9(13)10(14)11(6)16-12/h3H,2,4-5H2,1H3.
What are the key properties of 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline?
6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline has a molecular weight of 329.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline is sourced from PubChem (CID 169201864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).