(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

C24H34N2O2 — CID 22862514

IUPAC(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5cccnc5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C24H34N2O2/c1-23-13-11-22(27)26(3)20(23)8-6-17-18-7-9-21(24(18,2)12-10-19(17)23)28-16-5-4-14-25-15-16/h4-5,14-15,17-21H,6-13H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKeyZYFNRJLISHWYEX-WIEXBFLVSA-N
MW382.55 g/mol
LogP4.69
Rot. Bonds2

About (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 22862514) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID22862514
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5cccnc5)CC[C@H]4[C@@H]3CC[C@@H]12
InChIInChI=1S/C24H34N2O2/c1-23-13-11-22(27)26(3)20(23)8-6-17-18-7-9-21(24(18,2)12-10-19(17)23)28-16-5-4-14-25-15-16/h4-5,14-15,17-21H,6-13H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-/m0/s1
InChIKeyZYFNRJLISHWYEX-WIEXBFLVSA-N
XLogP4.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one (CID 22862514) is (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one is CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](Oc5cccnc5)CC[C@H]4[C@@H]3CC[C@@H]12.
What is the InChIKey of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is ZYFNRJLISHWYEX-WIEXBFLVSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-23-13-11-22(27)26(3)20(23)8-6-17-18-7-9-21(24(18,2)12-10-19(17)23)28-16-5-4-14-25-15-16/h4-5,14-15,17-21H,6-13H2,1-3H3/t17-,18-,19-,20+,21-,23+,24-/m0/s1.
What are the key properties of (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one?
(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 382.55 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-pyridin-3-yloxy-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 22862514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).