ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate

C23H33NO4 — CID 69302267

IUPACethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate
SMILESCCOC(=O)CC1C[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)C1=O
InChIInChI=1S/C23H33NO4/c1-5-28-20(26)13-14-12-17-15-6-7-18-22(2,11-9-19(25)24(18)4)16(15)8-10-23(17,3)21(14)27/h9,11,14-18H,5-8,10,12-13H2,1-4H3/t14?,15-,16-,17+,18?,22-,23+/m1/s1
InChIKeyITRWGEGLMKJLGU-PMLUEWFUSA-N
MW387.52 g/mol
LogP3.37
Rot. Bonds3

About ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate

ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate (PubChem CID 69302267) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate
PubChem CID69302267
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Nameethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate
SMILESCCOC(=O)CC1C[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)C1=O
InChIInChI=1S/C23H33NO4/c1-5-28-20(26)13-14-12-17-15-6-7-18-22(2,11-9-19(25)24(18)4)16(15)8-10-23(17,3)21(14)27/h9,11,14-18H,5-8,10,12-13H2,1-4H3/t14?,15-,16-,17+,18?,22-,23+/m1/s1
InChIKeyITRWGEGLMKJLGU-PMLUEWFUSA-N
XLogP3.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate?
The IUPAC name of ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate (CID 69302267) is ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate is CCOC(=O)CC1C[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]2(C)C1=O.
What is the InChIKey of ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate?
The InChIKey is ITRWGEGLMKJLGU-PMLUEWFUSA-N. The full InChI is InChI=1S/C23H33NO4/c1-5-28-20(26)13-14-12-17-15-6-7-18-22(2,11-9-19(25)24(18)4)16(15)8-10-23(17,3)21(14)27/h9,11,14-18H,5-8,10,12-13H2,1-4H3/t14?,15-,16-,17+,18?,22-,23+/m1/s1.
What are the key properties of ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate?
ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate has a molecular weight of 387.52 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-2-yl]acetate is sourced from PubChem (CID 69302267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).