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Home > Quinoline > 860611-70-7
860611-70-7 | 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 860611-70-7 Catalog No: AG00IN9U MDL No:MFCD04124164
Product Description
Catalog Number:
AG00IN9U
Chemical Name:
4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
860611-70-7
Molecular Formula:
C21H24N2O3
Molecular Weight:
352.4269
MDL Number:
MFCD04124164
IUPAC Name:
4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C21H24N2O3/c1-5-26-18-8-13(6-7-16(18)24)19-14(11-22)12(2)23-15-9-21(3,4)10-17(25)20(15)19/h6-8,19,23-24H,5,9-10H2,1-4H3
InChI Key:
CLIUCKAANZFCHZ-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.434g/mol
Monoisotopic Mass:
352.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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