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Home > Quinoline > 342046-22-4
342046-22-4 | 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 342046-22-4 Catalog No: AG00IN7P MDL No:MFCD01237460
Product Description
Catalog Number:
AG00IN7P
Chemical Name:
4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
342046-22-4
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
MDL Number:
MFCD01237460
IUPAC Name:
4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C20H22N2O2/c1-12-15(11-21)18(13-6-5-7-14(8-13)24-4)19-16(22-12)9-20(2,3)10-17(19)23/h5-8,18,22H,9-10H2,1-4H3
InChI Key:
JUEIAJWYHNTPIA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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