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113698-10-5 | 8-Quinolinamine, 4-chloro-7-methoxy-2-methyl-
CAS No: 113698-10-5 Catalog No: AG0009D1 MDL No:
Product Description
Catalog Number:
AG0009D1
Chemical Name:
8-Quinolinamine, 4-chloro-7-methoxy-2-methyl-
CAS Number:
113698-10-5
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
IUPAC Name:
4-chloro-7-methoxy-2-methylquinolin-8-amine
InChI:
InChI=1S/C11H11ClN2O/c1-6-5-8(12)7-3-4-9(15-2)10(13)11(7)14-6/h3-5H,13H2,1-2H3
InChI Key:
UJHPOKVDVVVFFC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1N)nc(cc2Cl)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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