(1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

C23H37NO2 — CID 70146678

IUPAC(1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](OC4CC4)CC[C@H]3[C@H]12
InChIInChI=1S/C23H37NO2/c1-4-14-13-18-22(2,12-10-20(25)24-18)17-9-11-23(3)16(21(14)17)7-8-19(23)26-15-5-6-15/h14-19,21H,4-13H2,1-3H3,(H,24,25)/t14-,16-,17-,18+,19-,21-,22+,23-/m0/s1
InChIKeyKEDGINXRTZPEGZ-IKMLEHLISA-N
MW359.55 g/mol
LogP4.69
Rot. Bonds3

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

(1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 70146678) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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(1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 CID70146678
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name(1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](OC4CC4)CC[C@H]3[C@H]12
InChIInChI=1S/C23H37NO2/c1-4-14-13-18-22(2,12-10-20(25)24-18)17-9-11-23(3)16(21(14)17)7-8-19(23)26-15-5-6-15/h14-19,21H,4-13H2,1-3H3,(H,24,25)/t14-,16-,17-,18+,19-,21-,22+,23-/m0/s1
InChIKeyKEDGINXRTZPEGZ-IKMLEHLISA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 70146678) is (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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@H]1C[C@H]2NC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](OC4CC4)CC[C@H]3[C@H]12.
What is the InChIKey of (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 KEDGINXRTZPEGZ-IKMLEHLISA-N. The full InChI is InChI=1S/C23H37NO2/c1-4-14-13-18-22(2,12-10-20(25)24-18)17-9-11-23(3)16(21(14)17)7-8-19(23)26-15-5-6-15/h14-19,21H,4-13H2,1-3H3,(H,24,25)/t14-,16-,17-,18+,19-,21-,22+,23-/m0/s1.
What are the key properties of (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one?
(1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 359.55 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bR,4S,5aR,9aR,9bS,11aS)-1-cyclopropyloxy-4-ethyl-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 70146678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).