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

C24H32N2O2 — CID 70285897

IUPAC(2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESC[C@H]1C[C@H]2NC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C[C@@H](Oc4cccnc4)C[C@H]3[C@H]12
InChIInChI=1S/C24H32N2O2/c1-15-11-20-24(3,9-7-21(27)26-20)18-6-8-23(2)13-17(12-19(23)22(15)18)28-16-5-4-10-25-14-16/h4-5,7,9-10,14-15,17-20,22H,6,8,11-13H2,1-3H3,(H,26,27)/t15-,17-,18-,19-,20+,22+,23+,24+/m0/s1
InChIKeyXZZCWANESVJXOE-WNJTZWKNSA-N
MW380.53 g/mol
LogP4.37
Rot. Bonds2

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

(2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 70285897) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID70285897
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESC[C@H]1C[C@H]2NC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C[C@@H](Oc4cccnc4)C[C@H]3[C@H]12
InChIInChI=1S/C24H32N2O2/c1-15-11-20-24(3,9-7-21(27)26-20)18-6-8-23(2)13-17(12-19(23)22(15)18)28-16-5-4-10-25-14-16/h4-5,7,9-10,14-15,17-20,22H,6,8,11-13H2,1-3H3,(H,26,27)/t15-,17-,18-,19-,20+,22+,23+,24+/m0/s1
InChIKeyXZZCWANESVJXOE-WNJTZWKNSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 70285897) is (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is C[C@H]1C[C@H]2NC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C[C@@H](Oc4cccnc4)C[C@H]3[C@H]12.
What is the InChIKey of (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is XZZCWANESVJXOE-WNJTZWKNSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-15-11-20-24(3,9-7-21(27)26-20)18-6-8-23(2)13-17(12-19(23)22(15)18)28-16-5-4-10-25-14-16/h4-5,7,9-10,14-15,17-20,22H,6,8,11-13H2,1-3H3,(H,26,27)/t15-,17-,18-,19-,20+,22+,23+,24+/m0/s1.
What are the key properties of (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
(2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 380.53 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,3bS,4S,5aR,9aR,9bS,11aR)-4,9a,11a-trimethyl-2-pyridin-3-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 70285897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).