ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate

C19H16ClFN2O4 — CID 69218354

IUPACethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2cc(F)cnc2n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C19H16ClFN2O4/c1-3-27-19(25)15-16(20)14-8-12(21)9-22-17(14)23(18(15)24)10-11-4-6-13(26-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyLDCNUOJEMOTSNE-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.42
Rot. Bonds5

About ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 69218354) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID69218354
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC Nameethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(Cl)c2cc(F)cnc2n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C19H16ClFN2O4/c1-3-27-19(25)15-16(20)14-8-12(21)9-22-17(14)23(18(15)24)10-11-4-6-13(26-2)7-5-11/h4-9H,3,10H2,1-2H3
InChIKeyLDCNUOJEMOTSNE-UHFFFAOYSA-N
XLogP3.42
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate (CID 69218354) is ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(Cl)c2cc(F)cnc2n(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is LDCNUOJEMOTSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-3-27-19(25)15-16(20)14-8-12(21)9-22-17(14)23(18(15)24)10-11-4-6-13(26-2)7-5-11/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 390.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 69218354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).