2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

C15H15N3O3 — CID 65262868

IUPAC2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESCOc1cncc(N2Cc3ccccc3C(C(=O)O)C2)n1
InChIInChI=1S/C15H15N3O3/c1-21-14-7-16-6-13(17-14)18-8-10-4-2-3-5-11(10)12(9-18)15(19)20/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKeyWSFLZIVUWJGDQA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.67
Rot. Bonds3

About 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 65262868) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID65262868
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESCOc1cncc(N2Cc3ccccc3C(C(=O)O)C2)n1
InChIInChI=1S/C15H15N3O3/c1-21-14-7-16-6-13(17-14)18-8-10-4-2-3-5-11(10)12(9-18)15(19)20/h2-7,12H,8-9H2,1H3,(H,19,20)
InChIKeyWSFLZIVUWJGDQA-UHFFFAOYSA-N
XLogP1.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 65262868) is 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is COc1cncc(N2Cc3ccccc3C(C(=O)O)C2)n1.
What is the InChIKey of 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is WSFLZIVUWJGDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-14-7-16-6-13(17-14)18-8-10-4-2-3-5-11(10)12(9-18)15(19)20/h2-7,12H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 65262868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).