2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid

C18H22N2O3 — CID 70184799

IUPAC2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid
SMILESCO[C@]12CC(CC(=O)O)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C18H22N2O3/c1-20-10-11(6-16(21)22)8-18(23-2)13-4-3-5-14-17(13)12(9-19-14)7-15(18)20/h3-5,9,11,15,19H,6-8,10H2,1-2H3,(H,21,22)/t11?,15-,18+/m1/s1
InChIKeyVJBCSGIJNNAVFB-HLSDDEKHSA-N
MW314.38 g/mol
LogP2.36
Rot. Bonds3

About 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid

2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid (PubChem CID 70184799) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid
PubChem CID70184799
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid
SMILESCO[C@]12CC(CC(=O)O)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C18H22N2O3/c1-20-10-11(6-16(21)22)8-18(23-2)13-4-3-5-14-17(13)12(9-19-14)7-15(18)20/h3-5,9,11,15,19H,6-8,10H2,1-2H3,(H,21,22)/t11?,15-,18+/m1/s1
InChIKeyVJBCSGIJNNAVFB-HLSDDEKHSA-N
XLogP2.36
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid with MolForge

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Related Compounds

(6aR)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-amine
CID 129213344
[(6aR,9R,10aS)-7-methyl-10a-(trideuteriomethoxy)-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 139024106
5-[[(6aR,9R,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 13251460
[(6aR,9S,10aS)-10a-methoxy-6,6a,7,8,9,10-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 70255341
(2S,4R,8R)-7-methyl-7,12-diazapentacyclo[8.6.1.02,4.02,8.013,17]heptadeca-1(17),10,13,15-tetraen-5-one;hydrochloride
CID 54612734
(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid
CID 70055927
[(6aR,9R,10aS)-4-tert-butyl-10a-methoxy-7-methyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methanol
CID 21156212
(6aR,10aS)-9-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline
CID 70185093
methyl 2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetate
CID 12782970
2-(10a-methoxy-4,5,7-trimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl)-N'-hydroxyethanimidamide
CID 54070183
methyl (2S,4S,7R)-4-methyl-6,11-diazapentacyclo[7.6.1.02,4.02,7.012,16]hexadeca-1(16),9,12,14-tetraene-6-carboxylate
CID 53329383
[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl pyridine-3-carboxylate;hydrochloride
CID 67898994

Frequently Asked Questions

What is the IUPAC name of 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid?
The IUPAC name of 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid (CID 70184799) is 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid.
What is the SMILES notation for 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid?
The canonical SMILES for 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid is CO[C@]12CC(CC(=O)O)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13.
What is the InChIKey of 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid?
The InChIKey is VJBCSGIJNNAVFB-HLSDDEKHSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20-10-11(6-16(21)22)8-18(23-2)13-4-3-5-14-17(13)12(9-19-14)7-15(18)20/h3-5,9,11,15,19H,6-8,10H2,1-2H3,(H,21,22)/t11?,15-,18+/m1/s1.
What are the key properties of 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid?
2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid has a molecular weight of 314.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6aR,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]acetic acid is sourced from PubChem (CID 70184799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).