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

C22H30N2O3 — CID 70286387

IUPAC(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-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(Oc4ccon4)C[C@H]3[C@H]12
InChIInChI=1S/C22H30N2O3/c1-13-10-17-22(3,8-5-18(25)23-17)15-4-7-21(2)12-14(11-16(21)20(13)15)27-19-6-9-26-24-19/h5-6,8-9,13-17,20H,4,7,10-12H2,1-3H3,(H,23,25)/t13?,14?,15-,16+,17?,20-,21-,22-/m1/s1
InChIKeyXKIPSRWKTCPIJO-ZNJYOJJISA-N
MW370.49 g/mol
LogP3.97
Rot. Bonds2

About (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-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-(1,2-oxazol-3-yloxy)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 70286387) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-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(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-yloxy)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID70286387
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-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(Oc4ccon4)C[C@H]3[C@H]12
InChIInChI=1S/C22H30N2O3/c1-13-10-17-22(3,8-5-18(25)23-17)15-4-7-21(2)12-14(11-16(21)20(13)15)27-19-6-9-26-24-19/h5-6,8-9,13-17,20H,4,7,10-12H2,1-3H3,(H,23,25)/t13?,14?,15-,16+,17?,20-,21-,22-/m1/s1
InChIKeyXKIPSRWKTCPIJO-ZNJYOJJISA-N
XLogP3.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-yloxy)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 70286387) is (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-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 (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-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(Oc4ccon4)C[C@H]3[C@H]12.
What is the InChIKey of (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-yloxy)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is XKIPSRWKTCPIJO-ZNJYOJJISA-N. The full InChI is InChI=1S/C22H30N2O3/c1-13-10-17-22(3,8-5-18(25)23-17)15-4-7-21(2)12-14(11-16(21)20(13)15)27-19-6-9-26-24-19/h5-6,8-9,13-17,20H,4,7,10-12H2,1-3H3,(H,23,25)/t13?,14?,15-,16+,17?,20-,21-,22-/m1/s1.
What are the key properties of (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-3-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-(1,2-oxazol-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 370.49 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,9aR,9bR,11aR)-4,9a,11a-trimethyl-2-(1,2-oxazol-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 70286387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).