6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline

C14H14BrClN2OS — CID 169202259

IUPAC6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
SMILESCCSc1nc(Cl)c2c3c(c(Br)c(C)c2n1)COCC3
InChIInChI=1S/C14H14BrClN2OS/c1-3-20-14-17-12-7(2)11(15)9-6-19-5-4-8(9)10(12)13(16)18-14/h3-6H2,1-2H3
InChIKeyGWILTZQNRVJVGF-UHFFFAOYSA-N
MW373.70 g/mol
LogP4.54
Rot. Bonds2

About 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline

6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline (PubChem CID 169202259) has the molecular formula C14H14BrClN2OS and a molecular weight of 373.70 g/mol. Its IUPAC name is 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline.

Molecular Properties

Compound Name6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
PubChem CID169202259
Molecular FormulaC14H14BrClN2OS
Molecular Weight373.70 g/mol
Exact Mass371.97
IUPAC Name6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
SMILESCCSc1nc(Cl)c2c3c(c(Br)c(C)c2n1)COCC3
InChIInChI=1S/C14H14BrClN2OS/c1-3-20-14-17-12-7(2)11(15)9-6-19-5-4-8(9)10(12)13(16)18-14/h3-6H2,1-2H3
InChIKeyGWILTZQNRVJVGF-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline with MolForge

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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-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-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-1-cyclopropyl-3-ethylsulfanyl-5-fluoro-7,9-dihydrofuro[3,4-f]quinazoline
CID 176323768
6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
CID 169201727
6-Bromo-5-chloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201873
6-Bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazoline
CID 169201991
2-(6-Bromo-1,5-dichloro-3-ethylsulfanyl-7,9-dihydrofuro[3,4-f]quinazolin-9-yl)acetonitrile
CID 169202447
6-Bromo-1,5-dichloro-3-ethylsulfanyl-9-(isocyanomethyl)-7,9-dihydrofuro[3,4-f]quinazoline
CID 177272157

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
The IUPAC name of 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline (CID 169202259) is 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline.
What is the SMILES notation for 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
The canonical SMILES for 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline is CCSc1nc(Cl)c2c3c(c(Br)c(C)c2n1)COCC3.
What is the InChIKey of 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
The InChIKey is GWILTZQNRVJVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2OS/c1-3-20-14-17-12-7(2)11(15)9-6-19-5-4-8(9)10(12)13(16)18-14/h3-6H2,1-2H3.
What are the key properties of 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline has a molecular weight of 373.70 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloro-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline is sourced from PubChem (CID 169202259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).