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88562-47-4 | 2-(ISOPROPYL)-8-(1H-TETRAZOL-5-YL)-11H-PYRIDO[2,1-B]QUINAZOLIN-11-ONE
CAS No: 88562-47-4 Catalog No: AG004BXN MDL No:
Product Description
Catalog Number:
AG004BXN
Chemical Name:
2-(ISOPROPYL)-8-(1H-TETRAZOL-5-YL)-11H-PYRIDO[2,1-B]QUINAZOLIN-11-ONE
CAS Number:
88562-47-4
Molecular Formula:
C16H14N6O
Molecular Weight:
306.3220
IUPAC Name:
2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
InChI:
InChI=1S/C16H14N6O/c1-9(2)10-3-5-13-12(7-10)16(23)22-8-11(4-6-14(22)17-13)15-18-20-21-19-15/h3-9H,1-2H3,(H,18,19,20,21)
InChI Key:
PSBJNAVROXYISE-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(=O)n1c(n2)ccc(c1)c1nnn[nH]1)C
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.123g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.329g/mol
Monoisotopic Mass:
306.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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