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

C14H15BrN2OS — CID 169201727

IUPAC6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
SMILESCCSc1ncc2c3c(c(Br)c(C)c2n1)COCC3
InChIInChI=1S/C14H15BrN2OS/c1-3-19-14-16-6-10-9-4-5-18-7-11(9)12(15)8(2)13(10)17-14/h6H,3-5,7H2,1-2H3
InChIKeyZAJQANPPGKGRQP-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.89
Rot. Bonds2

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

6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline (PubChem CID 169201727) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline.

Molecular Properties

Compound Name6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
PubChem CID169201727
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline
SMILESCCSc1ncc2c3c(c(Br)c(C)c2n1)COCC3
InChIInChI=1S/C14H15BrN2OS/c1-3-19-14-16-6-10-9-4-5-18-7-11(9)12(15)8(2)13(10)17-14/h6H,3-5,7H2,1-2H3
InChIKeyZAJQANPPGKGRQP-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
The IUPAC name of 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline (CID 169201727) is 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline.
What is the SMILES notation for 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
The canonical SMILES for 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline is CCSc1ncc2c3c(c(Br)c(C)c2n1)COCC3.
What is the InChIKey of 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
The InChIKey is ZAJQANPPGKGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-3-19-14-16-6-10-9-4-5-18-7-11(9)12(15)8(2)13(10)17-14/h6H,3-5,7H2,1-2H3.
What are the key properties of 6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline?
6-bromo-3-ethylsulfanyl-5-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline has a molecular weight of 339.26 g/mol, XLogP of 3.89, 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-methyl-9,10-dihydro-7H-pyrano[4,3-f]quinazoline is sourced from PubChem (CID 169201727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).