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

C12H10BrClN2OS — CID 169201873

IUPAC6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1ncc2c3c(c(Br)c(Cl)c2n1)COC3
InChIInChI=1S/C12H10BrClN2OS/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
InChIKeyOQSGYZNYESSHEI-UHFFFAOYSA-N
MW345.65 g/mol
LogP4.19
Rot. Bonds2

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

6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline (PubChem CID 169201873) has the molecular formula C12H10BrClN2OS and a molecular weight of 345.65 g/mol. Its IUPAC name is 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline.

Molecular Properties

Compound Name6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
PubChem CID169201873
Molecular FormulaC12H10BrClN2OS
Molecular Weight345.65 g/mol
Exact Mass343.94
IUPAC Name6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1ncc2c3c(c(Br)c(Cl)c2n1)COC3
InChIInChI=1S/C12H10BrClN2OS/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
InChIKeyOQSGYZNYESSHEI-UHFFFAOYSA-N
XLogP4.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromo-1-chloro-3-ethylsulfonyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201857
6-Bromo-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201864
6-Bromo-1-chloro-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201889
2-(6-Bromo-1-chloro-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazolin-9-yl)acetonitrile
CID 169201937
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-5-fluoro-3-methoxy-7,9-dihydrofuro[3,4-f]quinazoline
CID 170284455
6-Bromo-1-chloro-3-ethylsulfanyl-5-fluoro-9-(isocyanomethyl)-7,9-dihydrofuro[3,4-f]quinazoline
CID 170689560
6-Bromo-1-chloro-3-ethylsulfinyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 172205524
6-bromo-5-chloro-3-[[(8S)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazoline
CID 176323740
6-bromo-5-chloro-3-[[(8R)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-7,9-dihydrofuro[3,4-f]quinazoline
CID 176323755
6-Bromo-5-chloro-3-[[1-[[4-(fluoromethylidene)piperidin-1-yl]methyl]cyclopropyl]methoxy]-7,9-dihydrofuro[3,4-f]quinazoline
CID 176323772

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
The IUPAC name of 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline (CID 169201873) is 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline.
What is the SMILES notation for 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
The canonical SMILES for 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline is CCSc1ncc2c3c(c(Br)c(Cl)c2n1)COC3.
What is the InChIKey of 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
The InChIKey is OQSGYZNYESSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2OS/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-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline has a molecular weight of 345.65 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline is sourced from PubChem (CID 169201873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).