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179894-51-0 | 3H-Indeno[2,1-f]quinoline, 4,11-dihydro-1,3,3-trimethyl-
CAS No: 179894-51-0 Catalog No: AG0027BQ MDL No:
Product Description
Catalog Number:
AG0027BQ
Chemical Name:
3H-Indeno[2,1-f]quinoline, 4,11-dihydro-1,3,3-trimethyl-
CAS Number:
179894-51-0
Molecular Formula:
C19H19N
Molecular Weight:
261.3609
IUPAC Name:
1,3,3-trimethyl-4,11-dihydroindeno[2,1-f]quinoline
InChI:
InChI=1S/C19H19N/c1-12-11-19(2,3)20-17-9-8-15-14-7-5-4-6-13(14)10-16(15)18(12)17/h4-9,11,20H,10H2,1-3H3
InChI Key:
XIEOFCDTJAVROO-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)Nc2c1c1Cc3c(c1cc2)cccc3
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.368g/mol
Monoisotopic Mass:
261.152g/mol
Rotatable Bond Count:
0
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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