ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate

C20H22N2O5 — CID 67515740

IUPACethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILESCCOC(=O)c1ncc(OC)c2c1CCN(Cc1ccc(OC)cc1)C2=O
InChIInChI=1S/C20H22N2O5/c1-4-27-20(24)18-15-9-10-22(12-13-5-7-14(25-2)8-6-13)19(23)17(15)16(26-3)11-21-18/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyVDEQYLBZMCDCQF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.47
Rot. Bonds6

About ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate

ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate (PubChem CID 67515740) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
PubChem CID67515740
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILESCCOC(=O)c1ncc(OC)c2c1CCN(Cc1ccc(OC)cc1)C2=O
InChIInChI=1S/C20H22N2O5/c1-4-27-20(24)18-15-9-10-22(12-13-5-7-14(25-2)8-6-13)19(23)17(15)16(26-3)11-21-18/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyVDEQYLBZMCDCQF-UHFFFAOYSA-N
XLogP2.47
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The IUPAC name of ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate (CID 67515740) is ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The canonical SMILES for ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate is CCOC(=O)c1ncc(OC)c2c1CCN(Cc1ccc(OC)cc1)C2=O.
What is the InChIKey of ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The InChIKey is VDEQYLBZMCDCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-4-27-20(24)18-15-9-10-22(12-13-5-7-14(25-2)8-6-13)19(23)17(15)16(26-3)11-21-18/h5-8,11H,4,9-10,12H2,1-3H3.
What are the key properties of ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate is sourced from PubChem (CID 67515740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).