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

C12H9BrCl2N2OS — CID 169201991

IUPAC6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1nc(Cl)c2c3c(c(Br)c(Cl)c2n1)COC3
InChIInChI=1S/C12H9BrCl2N2OS/c1-2-19-12-16-10-7(11(15)17-12)5-3-18-4-6(5)8(13)9(10)14/h2-4H2,1H3
InChIKeyRMVFHCFXRFKNRL-UHFFFAOYSA-N
MW380.09 g/mol
LogP4.84
Rot. Bonds2

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

6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline (PubChem CID 169201991) has the molecular formula C12H9BrCl2N2OS and a molecular weight of 380.09 g/mol. Its IUPAC name is 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline.

Molecular Properties

Compound Name6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
PubChem CID169201991
Molecular FormulaC12H9BrCl2N2OS
Molecular Weight380.09 g/mol
Exact Mass377.90
IUPAC Name6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
SMILESCCSc1nc(Cl)c2c3c(c(Br)c(Cl)c2n1)COC3
InChIInChI=1S/C12H9BrCl2N2OS/c1-2-19-12-16-10-7(11(15)17-12)5-3-18-4-6(5)8(13)9(10)14/h2-4H2,1H3
InChIKeyRMVFHCFXRFKNRL-UHFFFAOYSA-N
XLogP4.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.09
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
The IUPAC name of 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline (CID 169201991) is 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline.
What is the SMILES notation for 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
The canonical SMILES for 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline is CCSc1nc(Cl)c2c3c(c(Br)c(Cl)c2n1)COC3.
What is the InChIKey of 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
The InChIKey is RMVFHCFXRFKNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2OS/c1-2-19-12-16-10-7(11(15)17-12)5-3-18-4-6(5)8(13)9(10)14/h2-4H2,1H3.
What are the key properties of 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline?
6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline has a molecular weight of 380.09 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline is sourced from PubChem (CID 169201991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).