6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid

C14H16N2O3 — CID 84638111

IUPAC6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
SMILESCOc1ccc(C)c2c(C(=O)O)c3n(c12)CCNC3
InChIInChI=1S/C14H16N2O3/c1-8-3-4-10(19-2)13-11(8)12(14(17)18)9-7-15-5-6-16(9)13/h3-4,15H,5-7H2,1-2H3,(H,17,18)
InChIKeyCVSAVYIFSGURRB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.76
Rot. Bonds2

About 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid

6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid (PubChem CID 84638111) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
PubChem CID84638111
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
SMILESCOc1ccc(C)c2c(C(=O)O)c3n(c12)CCNC3
InChIInChI=1S/C14H16N2O3/c1-8-3-4-10(19-2)13-11(8)12(14(17)18)9-7-15-5-6-16(9)13/h3-4,15H,5-7H2,1-2H3,(H,17,18)
InChIKeyCVSAVYIFSGURRB-UHFFFAOYSA-N
XLogP1.76
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-9,10-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84626274
6-methoxy-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638105
6,9,10-trimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 84622037
3-(6,9-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743197
7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84632187
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82495192
1-(7-methoxy-1,2,4-trimethylindol-3-yl)ethanone
CID 82495458
3-(6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743259
6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carbaldehyde
CID 84740760
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 96679890
1-fluoro-8-methoxy-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 91116192
6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 66585089

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid (CID 84638111) is 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid is COc1ccc(C)c2c(C(=O)O)c3n(c12)CCNC3.
What is the InChIKey of 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
The InChIKey is CVSAVYIFSGURRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-3-4-10(19-2)13-11(8)12(14(17)18)9-7-15-5-6-16(9)13/h3-4,15H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid?
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 84638111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).