ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate

C20H21FN2O5 — CID 69058346

IUPACethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILESCCOC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O5/c1-4-28-20(26)16-14-9-10-23(11-12-5-7-13(21)8-6-12)18(24)15(14)17(27-3)19(25)22(16)2/h5-8H,4,9-11H2,1-3H3
InChIKeyOMRCLRMXZRLJNY-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.91
Rot. Bonds5

About ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate

ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate (PubChem CID 69058346) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
PubChem CID69058346
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Nameethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILESCCOC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O5/c1-4-28-20(26)16-14-9-10-23(11-12-5-7-13(21)8-6-12)18(24)15(14)17(27-3)19(25)22(16)2/h5-8H,4,9-11H2,1-3H3
InChIKeyOMRCLRMXZRLJNY-UHFFFAOYSA-N
XLogP1.91
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The IUPAC name of ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate (CID 69058346) is ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate.
What is the SMILES notation for ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The canonical SMILES for ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate is CCOC(=O)c1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
The InChIKey is OMRCLRMXZRLJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-4-28-20(26)16-14-9-10-23(11-12-5-7-13(21)8-6-12)18(24)15(14)17(27-3)19(25)22(16)2/h5-8H,4,9-11H2,1-3H3.
What are the key properties of ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate?
ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-fluorophenyl)methyl]-4-methoxy-2-methyl-3,5-dioxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate is sourced from PubChem (CID 69058346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).