(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate

C16H12N2O4 — CID 18077800

IUPAC(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate
SMILESCCc1cc(=O)oc2cc(OC(=O)c3cnccn3)ccc12
InChIInChI=1S/C16H12N2O4/c1-2-10-7-15(19)22-14-8-11(3-4-12(10)14)21-16(20)13-9-17-5-6-18-13/h3-9H,2H2,1H3
InChIKeyICUMWGKLARVRLG-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.36
Rot. Bonds3

About (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate

(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate (PubChem CID 18077800) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate
PubChem CID18077800
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate
SMILESCCc1cc(=O)oc2cc(OC(=O)c3cnccn3)ccc12
InChIInChI=1S/C16H12N2O4/c1-2-10-7-15(19)22-14-8-11(3-4-12(10)14)21-16(20)13-9-17-5-6-18-13/h3-9H,2H2,1H3
InChIKeyICUMWGKLARVRLG-UHFFFAOYSA-N
XLogP2.36
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
CID 18149004
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
(4-ethyl-2-oxochromen-7-yl) 3-nitrobenzoate
CID 7925901
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl pyrazine-2-carboxylate
CID 7702436
(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
CID 7750795
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate?
The IUPAC name of (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate (CID 18077800) is (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate.
What is the SMILES notation for (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate?
The canonical SMILES for (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate is CCc1cc(=O)oc2cc(OC(=O)c3cnccn3)ccc12.
What is the InChIKey of (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate?
The InChIKey is ICUMWGKLARVRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-2-10-7-15(19)22-14-8-11(3-4-12(10)14)21-16(20)13-9-17-5-6-18-13/h3-9H,2H2,1H3.
What are the key properties of (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate?
(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate is sourced from PubChem (CID 18077800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).