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1600-81-3 | Naphtho[2,1-f]quinoline-2,8-dione, 1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydro-10a,12a-dimethyl-, (4aS,4bR,10aR,10bS,12aS)-
CAS No: 1600-81-3 Catalog No: AG001RL2 MDL No:
Product Description
Catalog Number:
AG001RL2
Chemical Name:
Naphtho[2,1-f]quinoline-2,8-dione, 1,3,4,4a,4b,5,6,9,10,10a,10b,11,12,12a-tetradecahydro-10a,12a-dimethyl-, (4aS,4bR,10aR,10bS,12aS)-
CAS Number:
1600-81-3
Molecular Formula:
C19H27NO2
Molecular Weight:
301.4232
IUPAC Name:
10a,12a-dimethyl-1,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinoline-2,8-dione
InChI:
InChI=1S/C19H27NO2/c1-18-9-7-13(21)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(22)20-19/h11,14-16H,3-10H2,1-2H3,(H,20,22)
InChI Key:
IRHRXMLIAVVPHC-UHFFFAOYSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C
NSC Number:
136994
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.204g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.43g/mol
Monoisotopic Mass:
301.204g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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