200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1464091-45-9
1464091-45-9 | 2-Pyridinecarboxylic acid, 4-[(1-cyclobutyl-4,5,6,7,8,9-hexahydro-4-oxo-3H-pyrazolo[3,4-c]quinolin-3-yl)methyl]-, methyl ester
CAS No: 1464091-45-9 Catalog No: AG001DZK MDL No:
Product Description
Catalog Number:
AG001DZK
Chemical Name:
2-Pyridinecarboxylic acid, 4-[(1-cyclobutyl-4,5,6,7,8,9-hexahydro-4-oxo-3H-pyrazolo[3,4-c]quinolin-3-yl)methyl]-, methyl ester
CAS Number:
1464091-45-9
Molecular Formula:
C22H24N4O3
Molecular Weight:
392.4510
IUPAC Name:
methyl 4-[(1-cyclobutyl-4-oxo-6,7,8,9-tetrahydro-5H-pyrazolo[3,4-c]quinolin-3-yl)methyl]pyridine-2-carboxylate
InChI:
InChI=1S/C22H24N4O3/c1-29-22(28)17-11-13(9-10-23-17)12-26-20-18(19(25-26)14-5-4-6-14)15-7-2-3-8-16(15)24-21(20)27/h9-11,14H,2-8,12H2,1H3,(H,24,27)
InChI Key:
FVGFNGWVMYIEQQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(c1)Cn1nc(c2c1c(=O)[nH]c1c2CCCC1)C1CCC1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.185g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.459g/mol
Monoisotopic Mass:
392.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.