(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate

C19H17NO5 — CID 2630298

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C19H17NO5/c1-3-23-18-15(5-4-8-20-18)19(22)24-11-13-10-17(21)25-16-9-12(2)6-7-14(13)16/h4-10H,3,11H2,1-2H3
InChIKeyMVXVSIAWEQWNMD-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.25
Rot. Bonds5

About (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate

(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2630298) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID2630298
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C19H17NO5/c1-3-23-18-15(5-4-8-20-18)19(22)24-11-13-10-17(21)25-16-9-12(2)6-7-14(13)16/h4-10H,3,11H2,1-2H3
InChIKeyMVXVSIAWEQWNMD-UHFFFAOYSA-N
XLogP3.25
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.25
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-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 4027480
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045422
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
(7-methyl-2-oxochromen-4-yl)methyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]benzoate
CID 4690964
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4236785
(7-methyl-2-oxochromen-4-yl)methyl 3-methyl-2-nitrobenzoate
CID 3692871
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524489
(7-methyl-2-oxochromen-4-yl)methyl 5-methylpyrazine-2-carboxylate
CID 2548027
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 5197110
(7-methyl-2-oxochromen-4-yl)methyl 2-amino-4-fluorobenzoate
CID 27997956

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate (CID 2630298) is (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(C)ccc12.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is MVXVSIAWEQWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-3-23-18-15(5-4-8-20-18)19(22)24-11-13-10-17(21)25-16-9-12(2)6-7-14(13)16/h4-10H,3,11H2,1-2H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.25, 5 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 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2630298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).