ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate

C18H16N2O2 — CID 174669716

IUPACethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(-c2nccnc2C)c2ccccc12
InChIInChI=1S/C18H16N2O2/c1-3-22-18(21)16-9-8-15(13-6-4-5-7-14(13)16)17-12(2)19-10-11-20-17/h4-11H,3H2,1-2H3
InChIKeyQSQAQKGWIIBZQZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.78
Rot. Bonds3

About ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate

ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate (PubChem CID 174669716) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
PubChem CID174669716
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(-c2nccnc2C)c2ccccc12
InChIInChI=1S/C18H16N2O2/c1-3-22-18(21)16-9-8-15(13-6-4-5-7-14(13)16)17-12(2)19-10-11-20-17/h4-11H,3H2,1-2H3
InChIKeyQSQAQKGWIIBZQZ-UHFFFAOYSA-N
XLogP3.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-fluoro-2-pyridinyl)naphthalene-1-carboxylate
CID 174669699
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl chrysene-1-carboxylate
CID 86251232
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
ethyl 2-(2-chlorophenyl)pyridine-3-carboxylate
CID 54268736
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate
CID 54115065
ethyl 8-butoxyquinoline-5-carboxylate
CID 96709879
ethyl 2-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 21062877
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
1,5-bis(ethoxycarbonyl)naphthalene-2-carboxylic acid
CID 20562968
ethyl 4-amino-2,3-diethoxybenzoate
CID 69259222

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate (CID 174669716) is ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate is CCOC(=O)c1ccc(-c2nccnc2C)c2ccccc12.
What is the InChIKey of ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate?
The InChIKey is QSQAQKGWIIBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-3-22-18(21)16-9-8-15(13-6-4-5-7-14(13)16)17-12(2)19-10-11-20-17/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate?
ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate is sourced from PubChem (CID 174669716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).