(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

C24H37N3O — CID 67619315

IUPAC(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
SMILESCC(C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)n1ccnc1
InChIInChI=1S/C24H37N3O/c1-16(27-13-12-25-15-27)14-17-4-6-19-18-5-7-21-24(3,11-9-22(28)26-21)20(18)8-10-23(17,19)2/h12-13,15-21H,4-11,14H2,1-3H3,(H,26,28)/t16?,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChIKeyMZYMYIDXVIDDRW-IRBPPDDKSA-N
MW383.58 g/mol
LogP4.97
Rot. Bonds3

About (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 67619315) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
PubChem CID67619315
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
SMILESCC(C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)n1ccnc1
InChIInChI=1S/C24H37N3O/c1-16(27-13-12-25-15-27)14-17-4-6-19-18-5-7-21-24(3,11-9-22(28)26-21)20(18)8-10-23(17,19)2/h12-13,15-21H,4-11,14H2,1-3H3,(H,26,28)/t16?,17-,18+,19+,20+,21-,23-,24-/m1/s1
InChIKeyMZYMYIDXVIDDRW-IRBPPDDKSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one (CID 67619315) is (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one is CC(C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)n1ccnc1.
What is the InChIKey of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is MZYMYIDXVIDDRW-IRBPPDDKSA-N. The full InChI is InChI=1S/C24H37N3O/c1-16(27-13-12-25-15-27)14-17-4-6-19-18-5-7-21-24(3,11-9-22(28)26-21)20(18)8-10-23(17,19)2/h12-13,15-21H,4-11,14H2,1-3H3,(H,26,28)/t16?,17-,18+,19+,20+,21-,23-,24-/m1/s1.
What are the key properties of (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?
(1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 383.58 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-(2-imidazol-1-ylpropyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 67619315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).