(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

C21H26N2O2 — CID 67725174

IUPAC(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCN1CC(C(=O)O)(C2CCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C21H26N2O2/c1-23-12-21(20(24)25,14-5-2-3-6-14)10-16-15-7-4-8-17-19(15)13(11-22-17)9-18(16)23/h4,7-8,11,14,16,18,22H,2-3,5-6,9-10,12H2,1H3,(H,24,25)/t16-,18-,21?/m1/s1
InChIKeyYOHOVHYKKDZKRX-XXTRANHVSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds2

About (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid (PubChem CID 67725174) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
PubChem CID67725174
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCN1CC(C(=O)O)(C2CCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C21H26N2O2/c1-23-12-21(20(24)25,14-5-2-3-6-14)10-16-15-7-4-8-17-19(15)13(11-22-17)9-18(16)23/h4,7-8,11,14,16,18,22H,2-3,5-6,9-10,12H2,1H3,(H,24,25)/t16-,18-,21?/m1/s1
InChIKeyYOHOVHYKKDZKRX-XXTRANHVSA-N
XLogP3.77
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

[(6aR,9S,10aR)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70622855
ethyl (6aR,9R,10aR)-9-(methoxymethyl)-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
CID 70584794
2-[(6aR,9S)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]acetonitrile
CID 70622844
[(6aR,9R)-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl methanesulfonate
CID 88808467
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 54146614
N-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 57023142
2-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-methoxyacetic acid
CID 57264883
(E)-but-2-enedioic acid;N-cyclohexyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 6509746
[(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl cycloheptanecarboxylate
CID 10619669
(6aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;butanedioic acid
CID 70365507
[(6aS,9R,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 40542631
(6aR,9S)-N,N-diethyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 12917894

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The IUPAC name of (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid (CID 67725174) is (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.
What is the SMILES notation for (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The canonical SMILES for (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid is CN1CC(C(=O)O)(C2CCCC2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The InChIKey is YOHOVHYKKDZKRX-XXTRANHVSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23-12-21(20(24)25,14-5-2-3-6-14)10-16-15-7-4-8-17-19(15)13(11-22-17)9-18(16)23/h4,7-8,11,14,16,18,22H,2-3,5-6,9-10,12H2,1H3,(H,24,25)/t16-,18-,21?/m1/s1.
What are the key properties of (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
(6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-9-cyclopentyl-7-methyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid is sourced from PubChem (CID 67725174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).