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

C24H32N2O2 — CID 70284623

IUPAC(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CC(Oc4ccccn4)C[C@H]3[C@H]12
InChIInChI=1S/C24H32N2O2/c1-15-12-19-24(3,10-8-20(27)26-19)17-7-9-23(2)14-16(13-18(23)22(15)17)28-21-6-4-5-11-25-21/h4-6,8,10-11,15-19,22H,7,9,12-14H2,1-3H3,(H,26,27)/t15?,16?,17-,18+,19?,22-,23-,24-/m1/s1
InChIKeyDBYCYHNOQOWGQJ-JVISRPBOSA-N
MW380.53 g/mol
LogP4.37
Rot. Bonds2

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

(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 70284623) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID70284623
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CC(Oc4ccccn4)C[C@H]3[C@H]12
InChIInChI=1S/C24H32N2O2/c1-15-12-19-24(3,10-8-20(27)26-19)17-7-9-23(2)14-16(13-18(23)22(15)17)28-21-6-4-5-11-25-21/h4-6,8,10-11,15-19,22H,7,9,12-14H2,1-3H3,(H,26,27)/t15?,16?,17-,18+,19?,22-,23-,24-/m1/s1
InChIKeyDBYCYHNOQOWGQJ-JVISRPBOSA-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 70284623) is (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is CC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CC(Oc4ccccn4)C[C@H]3[C@H]12.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is DBYCYHNOQOWGQJ-JVISRPBOSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-15-12-19-24(3,10-8-20(27)26-19)17-7-9-23(2)14-16(13-18(23)22(15)17)28-21-6-4-5-11-25-21/h4-6,8,10-11,15-19,22H,7,9,12-14H2,1-3H3,(H,26,27)/t15?,16?,17-,18+,19?,22-,23-,24-/m1/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-yloxy-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-pyridin-2-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 70284623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).