4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

C18H22N2O2 — CID 12818190

IUPAC4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCCn1cc2c3c(cccc31)C1CC(C(=O)O)CN(C)C1C2
InChIInChI=1S/C18H22N2O2/c1-3-20-10-11-8-16-14(7-12(18(21)22)9-19(16)2)13-5-4-6-15(20)17(11)13/h4-6,10,12,14,16H,3,7-9H2,1-2H3,(H,21,22)
InChIKeyQPSBGDFCKNDDLA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.71
Rot. Bonds2

About 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid

4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid (PubChem CID 12818190) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
PubChem CID12818190
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
SMILESCCn1cc2c3c(cccc31)C1CC(C(=O)O)CN(C)C1C2
InChIInChI=1S/C18H22N2O2/c1-3-20-10-11-8-16-14(7-12(18(21)22)9-19(16)2)13-5-4-6-15(20)17(11)13/h4-6,10,12,14,16H,3,7-9H2,1-2H3,(H,21,22)
InChIKeyQPSBGDFCKNDDLA-UHFFFAOYSA-N
XLogP2.71
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The IUPAC name of 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid (CID 12818190) is 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid.
What is the SMILES notation for 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The canonical SMILES for 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid is CCn1cc2c3c(cccc31)C1CC(C(=O)O)CN(C)C1C2.
What is the InChIKey of 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
The InChIKey is QPSBGDFCKNDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-20-10-11-8-16-14(7-12(18(21)22)9-19(16)2)13-5-4-6-15(20)17(11)13/h4-6,10,12,14,16H,3,7-9H2,1-2H3,(H,21,22).
What are the key properties of 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid?
4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid has a molecular weight of 298.39 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid is sourced from PubChem (CID 12818190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).