3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate

C20H18FN2O4- — CID 86612777

IUPAC3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate
SMILESCC(C)Cn1c(=O)c(C(=O)O)c([O-])c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H19FN2O4/c1-11(2)10-23-15-8-13(7-12-3-5-14(21)6-4-12)9-22-17(15)18(24)16(19(23)25)20(26)27/h3-6,8-9,11,24H,7,10H2,1-2H3,(H,26,27)/p-1
InChIKeyBAHIZBHWSROGKC-UHFFFAOYSA-M
MW369.37 g/mol
LogP2.55
Rot. Bonds5

About 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate

3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate (PubChem CID 86612777) has the molecular formula C20H18FN2O4- and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate.

Molecular Properties

Compound Name3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate
PubChem CID86612777
Molecular FormulaC20H18FN2O4-
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate
SMILESCC(C)Cn1c(=O)c(C(=O)O)c([O-])c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H19FN2O4/c1-11(2)10-23-15-8-13(7-12-3-5-14(21)6-4-12)9-22-17(15)18(24)16(19(23)25)20(26)27/h3-6,8-9,11,24H,7,10H2,1-2H3,(H,26,27)/p-1
InChIKeyBAHIZBHWSROGKC-UHFFFAOYSA-M
XLogP2.55
TPSA95.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate?
The IUPAC name of 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate (CID 86612777) is 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate.
What is the SMILES notation for 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate?
The canonical SMILES for 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate is CC(C)Cn1c(=O)c(C(=O)O)c([O-])c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate?
The InChIKey is BAHIZBHWSROGKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19FN2O4/c1-11(2)10-23-15-8-13(7-12-3-5-14(21)6-4-12)9-22-17(15)18(24)16(19(23)25)20(26)27/h3-6,8-9,11,24H,7,10H2,1-2H3,(H,26,27)/p-1.
What are the key properties of 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate?
3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate has a molecular weight of 369.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-7-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)-2-oxo-1,5-naphthyridin-4-olate is sourced from PubChem (CID 86612777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).