methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate

C15H15N3O2 — CID 66457745

IUPACmethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O2/c1-20-15(19)13-8-16-9-14(17-13)18-7-6-11-4-2-3-5-12(11)10-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyAAAOTOVPXLLZTO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.83
Rot. Bonds2

About methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate

methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate (PubChem CID 66457745) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
PubChem CID66457745
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namemethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H15N3O2/c1-20-15(19)13-8-16-9-14(17-13)18-7-6-11-4-2-3-5-12(11)10-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyAAAOTOVPXLLZTO-UHFFFAOYSA-N
XLogP1.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-(4-methyl-3-oxopiperazin-1-yl)pyrazine-2-carboxylate
CID 66449175
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrazin-2-amine
CID 80767778
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyrazine-2-carboxylate
CID 66449935
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
CID 113013155
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955
3-[4-(6-methoxycarbonylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 66454587
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 84570606
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109284169

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate (CID 66457745) is methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCc3ccccc3C2)n1.
What is the InChIKey of methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate?
The InChIKey is AAAOTOVPXLLZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-15(19)13-8-16-9-14(17-13)18-7-6-11-4-2-3-5-12(11)10-18/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate?
methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 66457745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).