4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline

C11H9N3S — CID 10488863

IUPAC4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline
SMILESCSc1ncnc2cc3[nH]ccc3cc12
InChIInChI=1S/C11H9N3S/c1-15-11-8-4-7-2-3-12-9(7)5-10(8)13-6-14-11/h2-6,12H,1H3
InChIKeyBOQDJQHVJXDIRW-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.83
Rot. Bonds1

About 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline

4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline (PubChem CID 10488863) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline.

Molecular Properties

Compound Name4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline
PubChem CID10488863
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline
SMILESCSc1ncnc2cc3[nH]ccc3cc12
InChIInChI=1S/C11H9N3S/c1-15-11-8-4-7-2-3-12-9(7)5-10(8)13-6-14-11/h2-6,12H,1H3
InChIKeyBOQDJQHVJXDIRW-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline?
The IUPAC name of 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline (CID 10488863) is 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline.
What is the SMILES notation for 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline?
The canonical SMILES for 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline is CSc1ncnc2cc3[nH]ccc3cc12.
What is the InChIKey of 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline?
The InChIKey is BOQDJQHVJXDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-15-11-8-4-7-2-3-12-9(7)5-10(8)13-6-14-11/h2-6,12H,1H3.
What are the key properties of 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline?
4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline has a molecular weight of 215.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-8H-pyrrolo[3,2-g]quinazoline is sourced from PubChem (CID 10488863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).