11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide

C25H28N2O3 — CID 126714436

IUPAC11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide
SMILESCCOC1c2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(N)=O)cc3n21
InChIInChI=1S/C25H28N2O3/c1-3-30-25-20-14-17(29-2)10-12-18(20)23-22(15-7-5-4-6-8-15)19-11-9-16(24(26)28)13-21(19)27(23)25/h9-15,25H,3-8H2,1-2H3,(H2,26,28)
InChIKeyGKPMVDGTRVYSOH-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.36
Rot. Bonds5

About 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide

11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide (PubChem CID 126714436) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide.

Molecular Properties

Compound Name11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide
PubChem CID126714436
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide
SMILESCCOC1c2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(N)=O)cc3n21
InChIInChI=1S/C25H28N2O3/c1-3-30-25-20-14-17(29-2)10-12-18(20)23-22(15-7-5-4-6-8-15)19-11-9-16(24(26)28)13-21(19)27(23)25/h9-15,25H,3-8H2,1-2H3,(H2,26,28)
InChIKeyGKPMVDGTRVYSOH-UHFFFAOYSA-N
XLogP5.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-acetylpyrrolidin-3-yl)-4-methoxyphenyl]-3-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]indole-6-carboxamide
CID 143870056
methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate
CID 11552259
10-[(2S)-2-[[benzyl(ethyl)amino]methyl]-2,3-dihydropyrrole-1-carbonyl]-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;N,N-dimethylthiohydroxylamine;ethane
CID 143584643
13-cyclohexyl-3-methoxy-6-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 143589976
dimethyl (8S,10R)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate
CID 24739416
ethyl (8S,10R)-19-cyclohexyl-5-methoxy-15-(prop-1-en-2-ylsulfonylcarbamoyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10-carboxylate
CID 59452553
19-cyclohexyl-5-methoxy-10-(2-methoxy-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid
CID 25015325
19-cyclohexyl-10-N-(1,2-dimethyl-6-methylidenepiperidin-4-yl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide
CID 145476260
(8R,12S)-21-cyclohexyl-9-[2-(dimethylamino)ethyl]-5-methoxy-9,14-diazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2(7),3,5,15(20),16,18-heptaene-17-carboxylic acid
CID 24896632
(8R,12S)-21-cyclohexyl-9-[2-(dimethylamino)acetyl]-5-methoxy-9,14-diazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2(7),3,5,15(20),16,18-heptaene-17-carboxylic acid
CID 44571719
10-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-ide-6-carbonyl)-19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methanol;N-methylmethanamine;yttrium
CID 145476130
19-cyclohexyl-10-(1,4-diazabicyclo[3.2.2]nonan-4-ylsulfonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;dimethylcarbamic acid;molecular hydrogen
CID 143590578

Frequently Asked Questions

What is the IUPAC name of 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide?
The IUPAC name of 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide (CID 126714436) is 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide.
What is the SMILES notation for 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide?
The canonical SMILES for 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide is CCOC1c2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(N)=O)cc3n21.
What is the InChIKey of 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide?
The InChIKey is GKPMVDGTRVYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-30-25-20-14-17(29-2)10-12-18(20)23-22(15-7-5-4-6-8-15)19-11-9-16(24(26)28)13-21(19)27(23)25/h9-15,25H,3-8H2,1-2H3,(H2,26,28).
What are the key properties of 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide?
11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclohexyl-6-ethoxy-8-methoxy-6H-isoindolo[2,1-a]indole-3-carboxamide is sourced from PubChem (CID 126714436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).