cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride

C26H37ClN2O2 — CID 67833447

IUPACcyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride
SMILESCCN1C[C@H](C(=O)OC2CCCCC2)CC2c3cccc4c3c(cn4C(C)C)C[C@H]21.Cl
InChIInChI=1S/C26H36N2O2.ClH/c1-4-27-15-19(26(29)30-20-9-6-5-7-10-20)13-22-21-11-8-12-23-25(21)18(14-24(22)27)16-28(23)17(2)3;/h8,11-12,16-17,19-20,22,24H,4-7,9-10,13-15H2,1-3H3;1H/t19-,22?,24-;/m1./s1
InChIKeyMNQDKLPAKAOGQP-UBJJKBSGSA-N
MW445.05 g/mol
LogP5.87
Rot. Bonds4

About cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride

cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride (PubChem CID 67833447) has the molecular formula C26H37ClN2O2 and a molecular weight of 445.05 g/mol. Its IUPAC name is cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride.

Molecular Properties

Compound Namecyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride
PubChem CID67833447
Molecular FormulaC26H37ClN2O2
Molecular Weight445.05 g/mol
Exact Mass444.25
IUPAC Namecyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride
SMILESCCN1C[C@H](C(=O)OC2CCCCC2)CC2c3cccc4c3c(cn4C(C)C)C[C@H]21.Cl
InChIInChI=1S/C26H36N2O2.ClH/c1-4-27-15-19(26(29)30-20-9-6-5-7-10-20)13-22-21-11-8-12-23-25(21)18(14-24(22)27)16-28(23)17(2)3;/h8,11-12,16-17,19-20,22,24H,4-7,9-10,13-15H2,1-3H3;1H/t19-,22?,24-;/m1./s1
InChIKeyMNQDKLPAKAOGQP-UBJJKBSGSA-N
XLogP5.87
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.05
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride 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

butanedioic acid;cyclohexyl (6aR,9R,10aR)-4,7-diethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 67833283
butanedioic acid;cyclohexyl (6aR,9R)-4,7-diethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 67833286
(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 57193212
(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 173375710
2-(oxolan-2-yl)propyl (6aR,10aR)-4-propan-2-yl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrobromide
CID 70430241
2-oxopropyl (6aR,9R)-4,7-diethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 22839906
3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 3034814
[(6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate
CID 11794958
(6aR,9R,10aR)-N-cyclooctyl-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67875562
(6aS,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67750439
[(6aR,10aR)-7-methyl-4-propan-2-yl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclopentanecarboxylate
CID 10548564
(6aR,9S,10aR)-N-(2-hydroxycyclopentyl)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
CID 158935179

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride?
The IUPAC name of cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride (CID 67833447) is cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride.
What is the SMILES notation for cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride?
The canonical SMILES for cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride is CCN1C[C@H](C(=O)OC2CCCCC2)CC2c3cccc4c3c(cn4C(C)C)C[C@H]21.Cl.
What is the InChIKey of cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride?
The InChIKey is MNQDKLPAKAOGQP-UBJJKBSGSA-N. The full InChI is InChI=1S/C26H36N2O2.ClH/c1-4-27-15-19(26(29)30-20-9-6-5-7-10-20)13-22-21-11-8-12-23-25(21)18(14-24(22)27)16-28(23)17(2)3;/h8,11-12,16-17,19-20,22,24H,4-7,9-10,13-15H2,1-3H3;1H/t19-,22?,24-;/m1./s1.
What are the key properties of cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride?
cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride has a molecular weight of 445.05 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (6aR,9R)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate;hydrochloride is sourced from PubChem (CID 67833447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).