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Home > Quinoline > 860611-67-2
860611-67-2 | 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 860611-67-2 Catalog No: AG00IP6L MDL No:MFCD01313949
Product Description
Catalog Number:
AG00IP6L
Chemical Name:
2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
860611-67-2
Molecular Formula:
C20H22N2O
Molecular Weight:
306.4015
MDL Number:
MFCD01313949
IUPAC Name:
2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C20H22N2O/c1-12-5-7-14(8-6-12)18-15(11-21)13(2)22-16-9-20(3,4)10-17(23)19(16)18/h5-8,18,22H,9-10H2,1-4H3
InChI Key:
NNIPDAFVQDHEIJ-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)(C)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.409g/mol
Monoisotopic Mass:
306.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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