(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid

C18H20N2O2 — CID 22791373

IUPAC(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCN1C[C@](C)(C(=O)O)C=C2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C18H20N2O2/c1-18(17(21)22)8-13-12-5-4-6-14-16(12)11(9-19(14)2)7-15(13)20(3)10-18/h4-6,8-9,15H,7,10H2,1-3H3,(H,21,22)/t15-,18-/m1/s1
InChIKeyNLBVQNOAMRYJKH-CRAIPNDOSA-N
MW296.37 g/mol
LogP2.52
Rot. Bonds1

About (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid

(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid (PubChem CID 22791373) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid
PubChem CID22791373
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCN1C[C@](C)(C(=O)O)C=C2c3cccc4c3c(cn4C)C[C@H]21
InChIInChI=1S/C18H20N2O2/c1-18(17(21)22)8-13-12-5-4-6-14-16(12)11(9-19(14)2)7-15(13)20(3)10-18/h4-6,8-9,15H,7,10H2,1-3H3,(H,21,22)/t15-,18-/m1/s1
InChIKeyNLBVQNOAMRYJKH-CRAIPNDOSA-N
XLogP2.52
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid with MolForge

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Related Compounds

(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carbonyl chloride
CID 88808028
(6aS,9R)-4-ethyl-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697319
(6aR,9S)-4-(1-fluoro-2-iodoethenyl)-7,9-dimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697318
(6aS,9R)-7,9-dimethyl-4-prop-2-enyl-6a,8-dihydro-6H-indolo[4,3-fg]quinolin-9-ol
CID 139697323
(6aR)-N-(4-hydroxybutyl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
CID 67700350
N-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]-6-bromopyridin-3-amine
CID 22798505
(6aR,9R)-4-methyl-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
CID 163525313
1-[(6aR,9R)-9-[(2S,4S)-2,4-dimethylazetidine-1-carbonyl]-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]ethanone
CID 169433876
(6aR,9S)-9-[(4-benzhydrylpiperazin-1-yl)methyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline
CID 70116896
(6aR,9R)-5-bromo-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxylic acid
CID 139604159
[(6aR,9R)-5-bromo-7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-fg]quinolin-9-yl]methanol
CID 70118962
1-[(6aR,9R)-9-(2,4-dimethylazetidine-1-carbonyl)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]propan-1-one
CID 166091836

Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid?
The IUPAC name of (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid (CID 22791373) is (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid.
What is the SMILES notation for (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid?
The canonical SMILES for (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid is CN1C[C@](C)(C(=O)O)C=C2c3cccc4c3c(cn4C)C[C@H]21.
What is the InChIKey of (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid?
The InChIKey is NLBVQNOAMRYJKH-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(17(21)22)8-13-12-5-4-6-14-16(12)11(9-19(14)2)7-15(13)20(3)10-18/h4-6,8-9,15H,7,10H2,1-3H3,(H,21,22)/t15-,18-/m1/s1.
What are the key properties of (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid?
(6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-4,7,9-trimethyl-6a,8-dihydro-6H-indolo[4,3-fg]quinoline-9-carboxylic acid is sourced from PubChem (CID 22791373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).