(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate

C17H14N2O4 — CID 2548027

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
SMILESCc1ccc2c(COC(=O)c3cnc(C)cn3)cc(=O)oc2c1
InChIInChI=1S/C17H14N2O4/c1-10-3-4-13-12(6-16(20)23-15(13)5-10)9-22-17(21)14-8-18-11(2)7-19-14/h3-8H,9H2,1-2H3
InChIKeySREMEMVZOAKQTR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.56
Rot. Bonds3

About (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate

(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate (PubChem CID 2548027) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
PubChem CID2548027
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
SMILESCc1ccc2c(COC(=O)c3cnc(C)cn3)cc(=O)oc2c1
InChIInChI=1S/C17H14N2O4/c1-10-3-4-13-12(6-16(20)23-15(13)5-10)9-22-17(21)14-8-18-11(2)7-19-14/h3-8H,9H2,1-2H3
InChIKeySREMEMVZOAKQTR-UHFFFAOYSA-N
XLogP2.56
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(7-hydroxy-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7950062
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
(7-methyl-2-oxochromen-4-yl)methyl 4-iodobenzoate
CID 2628144
(7-methyl-2-oxochromen-4-yl)methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2453151
(7-methyl-2-oxochromen-4-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 7833913
(7-methyl-2-oxochromen-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7714918
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
(7-methyl-2-oxochromen-4-yl)methyl 2-amino-4-fluorobenzoate
CID 27997956
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045422
(7-methyl-2-oxochromen-4-yl)methyl 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998472
(7-methyl-2-oxochromen-4-yl)methyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]benzoate
CID 4690964

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate (CID 2548027) is (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate is Cc1ccc2c(COC(=O)c3cnc(C)cn3)cc(=O)oc2c1.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate?
The InChIKey is SREMEMVZOAKQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10-3-4-13-12(6-16(20)23-15(13)5-10)9-22-17(21)14-8-18-11(2)7-19-14/h3-8H,9H2,1-2H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate?
(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 2548027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).