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

C23H35NO2 — CID 70147601

IUPAC(3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCCC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(OC4CC4)CC[C@H]3[C@H]12
InChIInChI=1S/C23H35NO2/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/h10,12,14-19,21H,4-9,11,13H2,1-3H3,(H,24,25)/t14?,16-,17+,18?,19?,21-,22+,23-/m0/s1
InChIKeyXSGCRLSGDCYAAW-VSQDMSIFSA-N
MW357.54 g/mol
LogP4.47
Rot. Bonds3

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

(3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (PubChem CID 70147601) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
PubChem CID70147601
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
SMILESCCC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(OC4CC4)CC[C@H]3[C@H]12
InChIInChI=1S/C23H35NO2/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/h10,12,14-19,21H,4-9,11,13H2,1-3H3,(H,24,25)/t14?,16-,17+,18?,19?,21-,22+,23-/m0/s1
InChIKeyXSGCRLSGDCYAAW-VSQDMSIFSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-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,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The IUPAC name of (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one (CID 70147601) is (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-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,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The canonical SMILES for (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is CCC1CC2NC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(OC4CC4)CC[C@H]3[C@H]12.
What is the InChIKey of (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
The InChIKey is XSGCRLSGDCYAAW-VSQDMSIFSA-N. The full InChI is InChI=1S/C23H35NO2/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/h10,12,14-19,21H,4-9,11,13H2,1-3H3,(H,24,25)/t14?,16-,17+,18?,19?,21-,22+,23-/m0/s1.
What are the key properties of (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one?
(3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one has a molecular weight of 357.54 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bR,9aR,9bR,11aS)-1-cyclopropyloxy-4-ethyl-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 70147601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).