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Home > Pyridines > 190437-46-8
190437-46-8 | 2-Quinazolinecarboxamide, 3,4-dihydro-4-oxo-N-(3-pyridinylmethyl)-
CAS No: 190437-46-8 Catalog No: AG002EK5 MDL No:
Product Description
Catalog Number:
AG002EK5
Chemical Name:
2-Quinazolinecarboxamide, 3,4-dihydro-4-oxo-N-(3-pyridinylmethyl)-
CAS Number:
190437-46-8
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
IUPAC Name:
4-oxo-N-(pyridin-3-ylmethyl)-3H-quinazoline-2-carboxamide
InChI:
InChI=1S/C15H12N4O2/c20-14-11-5-1-2-6-12(11)18-13(19-14)15(21)17-9-10-4-3-7-16-8-10/h1-8H,9H2,(H,17,21)(H,18,19,20)
InChI Key:
WXMMBXWEPRCMTC-UHFFFAOYSA-N
SMILES:
O=C(c1nc2ccccc2c(=O)[nH]1)NCc1cccnc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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