6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde

C14H9N3OS — CID 80640178

IUPAC6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(Sc2ncnc3ccccc23)nc1
InChIInChI=1S/C14H9N3OS/c18-8-10-5-6-13(15-7-10)19-14-11-3-1-2-4-12(11)16-9-17-14/h1-9H
InChIKeyAUTVEDMHQVWLGC-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.99
Rot. Bonds3

About 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde

6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde (PubChem CID 80640178) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde
PubChem CID80640178
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(Sc2ncnc3ccccc23)nc1
InChIInChI=1S/C14H9N3OS/c18-8-10-5-6-13(15-7-10)19-14-11-3-1-2-4-12(11)16-9-17-14/h1-9H
InChIKeyAUTVEDMHQVWLGC-UHFFFAOYSA-N
XLogP2.99
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde?
The IUPAC name of 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde (CID 80640178) is 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde is O=Cc1ccc(Sc2ncnc3ccccc23)nc1.
What is the InChIKey of 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde?
The InChIKey is AUTVEDMHQVWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c18-8-10-5-6-13(15-7-10)19-14-11-3-1-2-4-12(11)16-9-17-14/h1-9H.
What are the key properties of 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde?
6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde has a molecular weight of 267.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 80640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).