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6964-63-2 | Benzoic acid,2-[[(8-hydroxy-2-methyl-7-quinolinyl)phenylmethyl]amino]-, methyl ester
CAS No: 6964-63-2 Catalog No: AG005JWE MDL No:
Product Description
Catalog Number:
AG005JWE
Chemical Name:
Benzoic acid,2-[[(8-hydroxy-2-methyl-7-quinolinyl)phenylmethyl]amino]-, methyl ester
CAS Number:
6964-63-2
Molecular Formula:
C25H22N2O3
Molecular Weight:
398.4538
IUPAC Name:
methyl 2-[[(8-hydroxy-2-methylquinolin-7-yl)-phenylmethyl]amino]benzoate
InChI:
InChI=1S/C25H22N2O3/c1-16-12-13-18-14-15-20(24(28)23(18)26-16)22(17-8-4-3-5-9-17)27-21-11-7-6-10-19(21)25(29)30-2/h3-15,22,27-28H,1-2H3
InChI Key:
CSKYHUHRUFGIPV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1NC(c1ccc2c(c1O)nc(cc2)C)c1ccccc1
NSC Number:
66812
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.163g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
398.462g/mol
Monoisotopic Mass:
398.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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