(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate

C18H15NO5 — CID 4789903

IUPAC(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1ccc2c(COC(=O)c3ccc[nH]c3=O)cc(=O)oc2c1
InChIInChI=1S/C18H15NO5/c1-2-11-5-6-13-12(9-16(20)24-15(13)8-11)10-23-18(22)14-4-3-7-19-17(14)21/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyBPPZNIGSRPDPKY-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.40
Rot. Bonds4

About (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate

(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 4789903) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate
PubChem CID4789903
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate
SMILESCCc1ccc2c(COC(=O)c3ccc[nH]c3=O)cc(=O)oc2c1
InChIInChI=1S/C18H15NO5/c1-2-11-5-6-13-12(9-16(20)24-15(13)8-11)10-23-18(22)14-4-3-7-19-17(14)21/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyBPPZNIGSRPDPKY-UHFFFAOYSA-N
XLogP2.40
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate
CID 8786245
(7-ethyl-2-oxochromen-4-yl)methyl 2-[(S)-methylsulfinyl]benzoate
CID 11926980
(7-ethyl-2-oxochromen-4-yl)methyl 2,5-dimethylthiophene-3-carboxylate
CID 8878180
(7-ethyl-2-oxochromen-4-yl)methyl 2,4,5-trimethoxybenzoate
CID 8753682
(7-ethyl-2-oxochromen-4-yl)methyl 2-(1H-indol-3-yl)acetate
CID 7960202
(7-ethyl-2-oxochromen-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 7740586
(7-ethyl-2-oxochromen-4-yl)methyl 2-(propan-2-ylcarbamoylamino)benzoate
CID 27146435
(7-ethyl-2-oxochromen-4-yl)methyl 5-bromofuran-2-carboxylate
CID 8014134
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
(7-ethyl-2-oxochromen-4-yl)methyl pyridine-3-carboxylate
CID 9413628
(7-ethyl-2-oxochromen-4-yl)methyl (2R)-2-phenoxypropanoate
CID 8791114
(7-ethyl-2-oxochromen-4-yl)methyl 3-(methylsulfinylmethyl)benzoate
CID 46692406

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate (CID 4789903) is (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate is CCc1ccc2c(COC(=O)c3ccc[nH]c3=O)cc(=O)oc2c1.
What is the InChIKey of (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is BPPZNIGSRPDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-2-11-5-6-13-12(9-16(20)24-15(13)8-11)10-23-18(22)14-4-3-7-19-17(14)21/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate?
(7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-oxochromen-4-yl)methyl 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 4789903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).