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115160-16-2 | 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-(4-quinazolinylamino)-, hydrochloride (1:?)
CAS No: 115160-16-2 Catalog No: AG000GCX MDL No:
Product Description
Catalog Number:
AG000GCX
Chemical Name:
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-(4-quinazolinylamino)-, hydrochloride (1:?)
CAS Number:
115160-16-2
Molecular Formula:
C19H18ClN5O
Molecular Weight:
367.8321
IUPAC Name:
1,5-dimethyl-2-phenyl-4-(quinazolin-4-ylamino)pyrazol-3-one;hydrochloride
InChI:
InChI=1S/C19H17N5O.ClH/c1-13-17(19(25)24(23(13)2)14-8-4-3-5-9-14)22-18-15-10-6-7-11-16(15)20-12-21-18;/h3-12H,1-2H3,(H,20,21,22);1H
InChI Key:
MMEITTXWLIYMRG-UHFFFAOYSA-N
SMILES:
Cc1n(C)n(c(=O)c1Nc1ncnc2c1cccc2)c1ccccc1.Cl
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.837g/mol
Monoisotopic Mass:
367.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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