4-quinolin-2-ylsulfanylquinazoline

C17H11N3S — CID 3025179

IUPAC4-quinolin-2-ylsulfanylquinazoline
SMILESc1ccc2nc(Sc3ncnc4ccccc34)ccc2c1
InChIInChI=1S/C17H11N3S/c1-3-7-14-12(5-1)9-10-16(20-14)21-17-13-6-2-4-8-15(13)18-11-19-17/h1-11H
InChIKeyLPTXLLHXJSYYFB-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.33
Rot. Bonds2

About 4-quinolin-2-ylsulfanylquinazoline

4-quinolin-2-ylsulfanylquinazoline (PubChem CID 3025179) has the molecular formula C17H11N3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-quinolin-2-ylsulfanylquinazoline.

Molecular Properties

Compound Name4-quinolin-2-ylsulfanylquinazoline
PubChem CID3025179
Molecular FormulaC17H11N3S
Molecular Weight289.36 g/mol
Exact Mass289.07
IUPAC Name4-quinolin-2-ylsulfanylquinazoline
SMILESc1ccc2nc(Sc3ncnc4ccccc34)ccc2c1
InChIInChI=1S/C17H11N3S/c1-3-7-14-12(5-1)9-10-16(20-14)21-17-13-6-2-4-8-15(13)18-11-19-17/h1-11H
InChIKeyLPTXLLHXJSYYFB-UHFFFAOYSA-N
XLogP4.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-2-ylsulfanylquinazoline?
The IUPAC name of 4-quinolin-2-ylsulfanylquinazoline (CID 3025179) is 4-quinolin-2-ylsulfanylquinazoline.
What is the SMILES notation for 4-quinolin-2-ylsulfanylquinazoline?
The canonical SMILES for 4-quinolin-2-ylsulfanylquinazoline is c1ccc2nc(Sc3ncnc4ccccc34)ccc2c1.
What is the InChIKey of 4-quinolin-2-ylsulfanylquinazoline?
The InChIKey is LPTXLLHXJSYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S/c1-3-7-14-12(5-1)9-10-16(20-14)21-17-13-6-2-4-8-15(13)18-11-19-17/h1-11H.
What are the key properties of 4-quinolin-2-ylsulfanylquinazoline?
4-quinolin-2-ylsulfanylquinazoline has a molecular weight of 289.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-2-ylsulfanylquinazoline is sourced from PubChem (CID 3025179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).