2-(4-Tert-butylphenyl)-4-chloroquinazoline

HCID 732020

Notes Reactions

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Basic information

CAS: 59455-94-6
Standard SMILES: CC(C)(C)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1
InChIKey: FYLZBCRPYWYANT-UHFFFAOYSA-N
Molecular formula: C18H17ClN2
Average molar mass: 296.8 g/mol
Monoisotopic mass: 296.1080262

Names & identifiers

Preferred name: 2-(4-Tert-butylphenyl)-4-chloroquinazoline
IUPAC: 2-(4-tert-butylphenyl)-4-chloroquinazoline

Names & synonyms

59455-94-6Quinazoline, 4-chloro-2-[4-(1,1-dimethylethyl)phenyl]-2-[4-(tert-butyl)phenyl]-4-chloroquinazoline2-(4-tert-butylphenyl)-4-chloroquinazoline4-chloro-2-(4-tert-butylphenyl)quinazolineSCHEMBL11824321FYLZBCRPYWYANT-UHFFFAOYSA-NDTXSID201221601SBB080851AKOS000272835ST501981214-Chloro-2-[4-(1,1-dimethylethyl)phenyl]quinazoline

Database identifiers

CAS: 59455-94-6
PubChem CID: 732020
DTXSID: DTXSID201221601

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 344

Related reactions

2 records

New reaction record

HRID 1572839As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1973875As productuspto-grants-1976_12

Compound notes

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