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3562-69-4 | 1,2-DIHYDRO-2,2,4-TREIMETHYL-6-PHENYLQUINOLINE
CAS No: 3562-69-4 Catalog No: AG00CULB MDL No:
Product Description
Catalog Number:
AG00CULB
Chemical Name:
1,2-DIHYDRO-2,2,4-TREIMETHYL-6-PHENYLQUINOLINE
CAS Number:
3562-69-4
IUPAC Name:
2,2,4-trimethyl-6-phenyl-1H-quinoline
InChI:
InChI=1S/C18H19N/c1-13-12-18(2,3)19-17-10-9-15(11-16(13)17)14-7-5-4-6-8-14/h4-12,19H,1-3H3
InChI Key:
XKBGEVHKVFIMLY-UHFFFAOYSA-N
UNII:
UT9B2V4JD4
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Docking and three-dimensional quantitative structure-activity relationship (3D QSAR) analyses of nonsteroidal progesterone receptor ligands. | Journal of medicinal chemistry 20060713 |
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