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88562-46-3 | 11H-Pyrido[2,1-b]quinazoline-8-carbonitrile, 2-(1-methylethyl)-11-oxo-
CAS No: 88562-46-3 Catalog No: AG004BXO MDL No:
Product Description
Catalog Number:
AG004BXO
Chemical Name:
11H-Pyrido[2,1-b]quinazoline-8-carbonitrile, 2-(1-methylethyl)-11-oxo-
CAS Number:
88562-46-3
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carbonitrile
InChI:
InChI=1S/C16H13N3O/c1-10(2)12-4-5-14-13(7-12)16(20)19-9-11(8-17)3-6-15(19)18-14/h3-7,9-10H,1-2H3
InChI Key:
JANYSILYUZQLNC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2n(c1)c(=O)c1c(n2)ccc(c1)C(C)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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