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Home > Pyridines > 126861-32-3
126861-32-3 | 11H-Pyrido[2,1-b]quinazoline-2-carboxamide, 8-(1-methylethyl)-11-oxo-N-2H-tetrazol-5-yl-
CAS No: 126861-32-3 Catalog No: AG000TE8 MDL No:
Product Description
Catalog Number:
AG000TE8
Chemical Name:
11H-Pyrido[2,1-b]quinazoline-2-carboxamide, 8-(1-methylethyl)-11-oxo-N-2H-tetrazol-5-yl-
CAS Number:
126861-32-3
Molecular Formula:
C17H15N7O2
Molecular Weight:
349.3467
IUPAC Name:
11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide
InChI:
InChI=1S/C17H15N7O2/c1-9(2)11-4-6-14-18-13-5-3-10(7-12(13)16(26)24(14)8-11)15(25)19-17-20-22-23-21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,25)
InChI Key:
HKTWEOQVKMAJQK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)c(=O)n1c(n2)ccc(c1)C(C)C)Nc1n[nH]nn1
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.129g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.354g/mol
Monoisotopic Mass:
349.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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