2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid

C20H20N2O2 — CID 163192295

IUPAC2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid
SMILESCCC1=C(C)C2=C3N=c4ccccc4=C3CC(C(=O)O)N2C=C1C
InChIInChI=1S/C20H20N2O2/c1-4-13-11(2)10-22-17(20(23)24)9-15-14-7-5-6-8-16(14)21-18(15)19(22)12(13)3/h5-8,10,17H,4,9H2,1-3H3,(H,23,24)
InChIKeyQBLWCDAQUPVYLI-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.48
Rot. Bonds2

About 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid

2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid (PubChem CID 163192295) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid
PubChem CID163192295
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid
SMILESCCC1=C(C)C2=C3N=c4ccccc4=C3CC(C(=O)O)N2C=C1C
InChIInChI=1S/C20H20N2O2/c1-4-13-11(2)10-22-17(20(23)24)9-15-14-7-5-6-8-16(14)21-18(15)19(22)12(13)3/h5-8,10,17H,4,9H2,1-3H3,(H,23,24)
InChIKeyQBLWCDAQUPVYLI-UHFFFAOYSA-N
XLogP2.48
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid?
The IUPAC name of 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid (CID 163192295) is 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid?
The canonical SMILES for 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid is CCC1=C(C)C2=C3N=c4ccccc4=C3CC(C(=O)O)N2C=C1C.
What is the InChIKey of 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid?
The InChIKey is QBLWCDAQUPVYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-13-11(2)10-22-17(20(23)24)9-15-14-7-5-6-8-16(14)21-18(15)19(22)12(13)3/h5-8,10,17H,4,9H2,1-3H3,(H,23,24).
What are the key properties of 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid?
2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dimethyl-6,7-dihydroindolo[2,3-a]quinolizine-6-carboxylic acid is sourced from PubChem (CID 163192295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).