2-(Chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one - CAS 3166-54-9
Catalog: |
BB055484 |
Product Name: |
2-(Chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one |
CAS: |
3166-54-9 |
Synonyms: |
2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one; 2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4-one; 4(3H)-Quinazolinone, 2-(chloromethyl)-3-(2-methylphenyl)-; Chloromethaqualone |
IUPAC Name: | 2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4-one |
Molecular Weight: | 284.74 |
Molecular Formula: | C16H13ClN2O |
Canonical SMILES: | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CCl |
InChI: | InChI=1S/C16H13ClN2O/c1-11-6-2-5-9-14(11)19-15(10-17)18-13-8-4-3-7-12(13)16(19)20/h2-9H,10H2,1H3 |
InChI Key: | GZCHSUWHNMHICW-UHFFFAOYSA-N |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.0716407 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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