methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate

C23H23NO3 — CID 11552259

IUPACmethyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C(O)c1ccccc1-3
InChIInChI=1S/C23H23NO3/c1-27-23(26)15-11-12-18-19(13-15)24-21(20(18)14-7-3-2-4-8-14)16-9-5-6-10-17(16)22(24)25/h5-6,9-14,22,25H,2-4,7-8H2,1H3
InChIKeyNJLVAQGJZOXDRY-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.00
Rot. Bonds2

About methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate

methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate (PubChem CID 11552259) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate
PubChem CID11552259
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Namemethyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C(O)c1ccccc1-3
InChIInChI=1S/C23H23NO3/c1-27-23(26)15-11-12-18-19(13-15)24-21(20(18)14-7-3-2-4-8-14)16-9-5-6-10-17(16)22(24)25/h5-6,9-14,22,25H,2-4,7-8H2,1H3
InChIKeyNJLVAQGJZOXDRY-UHFFFAOYSA-N
XLogP5.00
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (10R)-19-cyclohexyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-10,15-dicarboxylate
CID 102125984
methyl 10-amino-21-cyclohexyl-14-azapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,15(20),16,18-heptaene-17-carboxylate
CID 68706142
methyl 6-amino-13-cycloheptyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 143523299
methyl 13-cyclohexyl-6-oxo-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxylate
CID 58765241
12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylic acid;methyl 12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline-9-carboxylate
CID 157061369
methyl (10S)-19-cyclohexyl-10-hydroxy-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
CID 66674899
methyl 19-cyclohexyl-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
CID 11995326
methyl 19-cyclohexyl-8,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
CID 68699880
methyl (10R)-10-amino-19-cyclohexyl-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
CID 50994751
methyl 13-cyclohexyl-6-formyl-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 86640311
methyl 13-cyclohexyl-6-nitroso-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 90977041
methyl 19-cyclohexyl-9-oxo-8,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
CID 68699073

Frequently Asked Questions

What is the IUPAC name of methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate?
The IUPAC name of methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate (CID 11552259) is methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate.
What is the SMILES notation for methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate?
The canonical SMILES for methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C(O)c1ccccc1-3.
What is the InChIKey of methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate?
The InChIKey is NJLVAQGJZOXDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-27-23(26)15-11-12-18-19(13-15)24-21(20(18)14-7-3-2-4-8-14)16-9-5-6-10-17(16)22(24)25/h5-6,9-14,22,25H,2-4,7-8H2,1H3.
What are the key properties of methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate?
methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate is sourced from PubChem (CID 11552259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).