ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate

C23H23NO5 — CID 53301267

IUPACethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
SMILESCCOC(=O)[C@]12Cc3ccccc3[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12
InChIInChI=1S/C23H23NO5/c1-3-29-22(27)23-14-15-8-4-5-9-16(15)20(23)24(13-12-19(25)28-2)21(26)17-10-6-7-11-18(17)23/h4-11,20H,3,12-14H2,1-2H3/t20-,23+/m1/s1
InChIKeyHIXBCOKWGROAQJ-OFNKIYASSA-N
MW393.44 g/mol
LogP2.80
Rot. Bonds5

About ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate

ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate (PubChem CID 53301267) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate.

Molecular Properties

Compound Nameethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
PubChem CID53301267
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Nameethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate
SMILESCCOC(=O)[C@]12Cc3ccccc3[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12
InChIInChI=1S/C23H23NO5/c1-3-29-22(27)23-14-15-8-4-5-9-16(15)20(23)24(13-12-19(25)28-2)21(26)17-10-6-7-11-18(17)23/h4-11,20H,3,12-14H2,1-2H3/t20-,23+/m1/s1
InChIKeyHIXBCOKWGROAQJ-OFNKIYASSA-N
XLogP2.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44142203
CID 44142203
CID 53301273
CID 53301273
CID 44142205
CID 44142205
CID 44142211
CID 44142211
CID 53301229
CID 53301229
CID 53301230
CID 53301230
CID 53301231
CID 53301231
CID 53301234
CID 53301234
CID 53301241
CID 53301241
CID 53301243
CID 53301243
CID 53301244
CID 53301244
CID 53301245
CID 53301245

Frequently Asked Questions

What is the IUPAC name of ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate?
The IUPAC name of ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate (CID 53301267) is ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate.
What is the SMILES notation for ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate?
The canonical SMILES for ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate is CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12.
What is the InChIKey of ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate?
The InChIKey is HIXBCOKWGROAQJ-OFNKIYASSA-N. The full InChI is InChI=1S/C23H23NO5/c1-3-29-22(27)23-14-15-8-4-5-9-16(15)20(23)24(13-12-19(25)28-2)21(26)17-10-6-7-11-18(17)23/h4-11,20H,3,12-14H2,1-2H3/t20-,23+/m1/s1.
What are the key properties of ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate?
ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6aR,11aS)-6-(3-methoxy-3-oxopropyl)-5-oxo-6a,11-dihydroindeno[1,2-c]isoquinoline-11a-carboxylate is sourced from PubChem (CID 53301267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).