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Home > Quinoline > 453583-97-6
453583-97-6 | 2,7,7-trimethyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 453583-97-6 Catalog No: AG00IN7R MDL No:MFCD02361325
Product Description
Catalog Number:
AG00IN7R
Chemical Name:
2,7,7-trimethyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
453583-97-6
Molecular Formula:
C23H22N2O
Molecular Weight:
342.4336
MDL Number:
MFCD02361325
IUPAC Name:
2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C23H22N2O/c1-14-18(13-24)21(17-10-6-8-15-7-4-5-9-16(15)17)22-19(25-14)11-23(2,3)12-20(22)26/h4-10,21,25H,11-12H2,1-3H3
InChI Key:
TVBNZWXYXINMBS-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(C)C
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.442g/mol
Monoisotopic Mass:
342.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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