7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid

C13H14N2O3 — CID 84632187

IUPAC7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)c3n(c2c1)CCNC3
InChIInChI=1S/C13H14N2O3/c1-18-8-2-3-9-10(6-8)15-5-4-14-7-11(15)12(9)13(16)17/h2-3,6,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyCPLVWFOVNGQMAO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.45
Rot. Bonds2

About 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid

7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid (PubChem CID 84632187) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
PubChem CID84632187
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)c3n(c2c1)CCNC3
InChIInChI=1S/C13H14N2O3/c1-18-8-2-3-9-10(6-8)15-5-4-14-7-11(15)12(9)13(16)17/h2-3,6,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyCPLVWFOVNGQMAO-UHFFFAOYSA-N
XLogP1.45
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638105
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 66585089
2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
CID 66920511
3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
6-methoxy-1-propylindole-3-carboxylic acid
CID 53418823
(2Z)-6-hydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3-one
CID 68855224
7-chloro-8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84742786
[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylindol-3-yl]-piperazin-1-ylmethanone
CID 52946960
6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19783731
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
2-[6-methoxy-3-(2-piperazin-1-ylethyl)indol-1-yl]acetic acid
CID 83947673

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid (CID 84632187) is 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid is COc1ccc2c(C(=O)O)c3n(c2c1)CCNC3.
What is the InChIKey of 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
The InChIKey is CPLVWFOVNGQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-8-2-3-9-10(6-8)15-5-4-14-7-11(15)12(9)13(16)17/h2-3,6,14H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 84632187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).