ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H19F2N3O4 — CID 139562601

IUPACethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCOCC3)ccc2c1=O
InChIInChI=1S/C21H19F2N3O4/c1-2-30-21(28)15-12-26(17-5-3-13(22)11-16(17)23)20-14(19(15)27)4-6-18(24-20)25-7-9-29-10-8-25/h3-6,11-12H,2,7-10H2,1H3
InChIKeyBCWZEMFKVBNUIN-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.68
Rot. Bonds4

About ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 139562601) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID139562601
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC Nameethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCOCC3)ccc2c1=O
InChIInChI=1S/C21H19F2N3O4/c1-2-30-21(28)15-12-26(17-5-3-13(22)11-16(17)23)20-14(19(15)27)4-6-18(24-20)25-7-9-29-10-8-25/h3-6,11-12H,2,7-10H2,1H3
InChIKeyBCWZEMFKVBNUIN-UHFFFAOYSA-N
XLogP2.68
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(2,4-difluorophenyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562602
N-(1-adamantyl)-1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135355066
ethyl 1-(2,4-difluorophenyl)-5,6,7,8-tetrafluoro-4-oxoquinoline-3-carboxylate
CID 15070037
ethyl 1-(2,4-difluorophenyl)-7-[3-(2,2-dimethylpropylideneamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 19694997
N-(1-adamantyl)-7-(aziridin-1-yl)-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135355002
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
ethyl 7-(2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 68990928
7-[(1S,6R,8S)-8-amino-3-azabicyclo[4.2.0]octan-3-yl]-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54083331
methyl 4-[6-(1-adamantylcarbamoyl)-8-(2,4-difluorophenyl)-5-oxo-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
CID 139543977
ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 14287951
1-(2,4-difluorophenyl)-7-(3,4-dihydroxypyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 155051387
7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 67784720

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 139562601) is ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCOCC3)ccc2c1=O.
What is the InChIKey of ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is BCWZEMFKVBNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c1-2-30-21(28)15-12-26(17-5-3-13(22)11-16(17)23)20-14(19(15)27)4-6-18(24-20)25-7-9-29-10-8-25/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 415.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 139562601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).