(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

C20H26N2O2 — CID 57193212

IUPAC(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCCN1CC(C(=O)O)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21
InChIInChI=1S/C20H26N2O2/c1-4-21-10-14(20(23)24)8-16-15-6-5-7-17-19(15)13(9-18(16)21)11-22(17)12(2)3/h5-7,11-12,14,16,18H,4,8-10H2,1-3H3,(H,23,24)/t14?,16-,18-/m1/s1
InChIKeyYEFATVXJLFCCMY-NBSGVIAVSA-N
MW326.44 g/mol
LogP3.66
Rot. Bonds3

About (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid (PubChem CID 57193212) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
PubChem CID57193212
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCCN1CC(C(=O)O)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21
InChIInChI=1S/C20H26N2O2/c1-4-21-10-14(20(23)24)8-16-15-6-5-7-17-19(15)13(9-18(16)21)11-22(17)12(2)3/h5-7,11-12,14,16,18H,4,8-10H2,1-3H3,(H,23,24)/t14?,16-,18-/m1/s1
InChIKeyYEFATVXJLFCCMY-NBSGVIAVSA-N
XLogP3.66
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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
(6aR)-7-ethyl-N-pentyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 173375710
4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 12818190
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)-N-cyclohexyl-7-methyl-4-propan-2-yl-N-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 139726927
butanedioic acid;cyclohexyl (6aR,9R)-4,7-diethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 67833286
butanedioic acid;cyclohexyl (6aR,9R,10aR)-4,7-diethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 67833283
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
(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,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
[(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

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The IUPAC name of (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid (CID 57193212) is (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.
What is the SMILES notation for (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The canonical SMILES for (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid is CCN1CC(C(=O)O)C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@H]21.
What is the InChIKey of (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The InChIKey is YEFATVXJLFCCMY-NBSGVIAVSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-21-10-14(20(23)24)8-16-15-6-5-7-17-19(15)13(9-18(16)21)11-22(17)12(2)3/h5-7,11-12,14,16,18H,4,8-10H2,1-3H3,(H,23,24)/t14?,16-,18-/m1/s1.
What are the key properties of (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
(6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-7-ethyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid is sourced from PubChem (CID 57193212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).