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1024791-93-2 | (2Z)-2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methylidene]-3-oxo-N-phenylbutanamide
CAS No: 1024791-93-2 Catalog No: AG00IVA1 MDL No:MFCD00955266
Product Description
Catalog Number:
AG00IVA1
Chemical Name:
(2Z)-2-[(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)methylidene]-3-oxo-N-phenylbutanamide
CAS Number:
1024791-93-2
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
MDL Number:
MFCD00955266
IUPAC Name:
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methylidene]-3-oxo-N-phenylbutanamide
InChI:
InChI=1S/C21H22N2O2/c1-15-10-11-20-17(13-15)7-6-12-23(20)14-19(16(2)24)21(25)22-18-8-4-3-5-9-18/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,25)
InChI Key:
GTGLKLKONOUYHG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCCN2/C=C(\C(=O)Nc1ccccc1)/C(=O)C
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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