quinazoline

Synonyms: "phenmiazine", "1,3-benzodiazine", "1,3-diazanaphthalene", "5,6-benzopyrimidine", "benzo[a]pyrimidine", "chinazolin", "benzopyrimidine", "benzo(a)pyrimidine".

Source: Quinazoline is one of the most important nitrogen heterocycles commonly found in a wide variety of natural products, pharmaceutical molecules, and functional materials.

Identifiers:

IUPAC Name: quinazoline
CAS Number: 253-82-7
PubChem ID: 9210
InChiKey: JWVCLYRUEFBMGU-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C2C(=C1)C=NC=N2

Structural Properties:

Molecular Formula: C₈H₆N₂
Molecular Weight: 130.150

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 10

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Benisek M, Blaha L, Hilscherova K. 2008. Interference of PAHs and their N-heterocyclic analogs with signaling of retinoids in vitro. Toxicol in Vitro 22(8):1909-1917. DOI: 10.1016/j.tiv.2008.09.009. URL: http://www.sciencedirect.com/science/article/pii/S0887233308002373?via%3Dihub.