[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate

C26H36N2O4 — CID 67750821

IUPAC[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate
SMILESCC(C)(NC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccco1
InChIInChI=1S/C26H36N2O4/c1-24(2,20-6-5-15-31-20)28-23(30)32-21-10-8-17-16-7-9-19-25(3,14-12-22(29)27-19)18(16)11-13-26(17,21)4/h5-6,12,14-19,21H,7-11,13H2,1-4H3,(H,27,29)(H,28,30)/t16-,17-,18-,19+,21-,25+,26-/m0/s1
InChIKeyKDDASVAXAWMKPX-BLDGVNMESA-N
MW440.58 g/mol
LogP4.91
Rot. Bonds3

About [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate

[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate (PubChem CID 67750821) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate
PubChem CID67750821
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate
SMILESCC(C)(NC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccco1
InChIInChI=1S/C26H36N2O4/c1-24(2,20-6-5-15-31-20)28-23(30)32-21-10-8-17-16-7-9-19-25(3,14-12-22(29)27-19)18(16)11-13-26(17,21)4/h5-6,12,14-19,21H,7-11,13H2,1-4H3,(H,27,29)(H,28,30)/t16-,17-,18-,19+,21-,25+,26-/m0/s1
InChIKeyKDDASVAXAWMKPX-BLDGVNMESA-N
XLogP4.91
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate?
The IUPAC name of [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate (CID 67750821) is [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate?
The canonical SMILES for [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate is CC(C)(NC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)c1ccco1.
What is the InChIKey of [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate?
The InChIKey is KDDASVAXAWMKPX-BLDGVNMESA-N. The full InChI is InChI=1S/C26H36N2O4/c1-24(2,20-6-5-15-31-20)28-23(30)32-21-10-8-17-16-7-9-19-25(3,14-12-22(29)27-19)18(16)11-13-26(17,21)4/h5-6,12,14-19,21H,7-11,13H2,1-4H3,(H,27,29)(H,28,30)/t16-,17-,18-,19+,21-,25+,26-/m0/s1.
What are the key properties of [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate?
[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate has a molecular weight of 440.58 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] N-[2-(furan-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 67750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).