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

C19H17NO6 — CID 4027480

IUPAC(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C19H17NO6/c1-3-24-18-15(5-4-8-20-18)19(22)25-11-12-9-17(21)26-16-10-13(23-2)6-7-14(12)16/h4-10H,3,11H2,1-2H3
InChIKeyDVRUSZDQJUSBFV-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.95
Rot. Bonds6

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

(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate (PubChem CID 4027480) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
PubChem CID4027480
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C19H17NO6/c1-3-24-18-15(5-4-8-20-18)19(22)25-11-12-9-17(21)26-16-10-13(23-2)6-7-14(12)16/h4-10H,3,11H2,1-2H3
InChIKeyDVRUSZDQJUSBFV-UHFFFAOYSA-N
XLogP2.95
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 5197110
(7-methoxy-2-oxochromen-4-yl)methyl 2-iodobenzoate
CID 3876899
(7-methoxy-2-oxochromen-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811334
(7-methoxy-2-oxochromen-4-yl)methyl 2-phenoxybenzoate
CID 5205854
(7-methoxy-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469232
(7-methoxy-2-oxochromen-4-yl)methyl 2,4-dimethylbenzoate
CID 7796060
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
(7-methoxy-2-oxochromen-4-yl)methyl quinoxaline-6-carboxylate
CID 7676822
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654387
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2,5-dimethoxybenzoate
CID 7561182

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate (CID 4027480) is (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is DVRUSZDQJUSBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-3-24-18-15(5-4-8-20-18)19(22)25-11-12-9-17(21)26-16-10-13(23-2)6-7-14(12)16/h4-10H,3,11H2,1-2H3.
What are the key properties of (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate?
(7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 4027480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).