7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid

C18H14FN3O5 — CID 140528333

IUPAC7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3C(N)=O)cc21
InChIInChI=1S/C18H14FN3O5/c1-22-12-5-8(4-9-2-3-10(19)6-11(9)16(20)24)7-21-14(12)15(23)13(17(22)25)18(26)27/h2-3,5-7,23H,4H2,1H3,(H2,20,24)(H,26,27)
InChIKeyPGIVZFIIRYLJFU-UHFFFAOYSA-N
MW371.32 g/mol
LogP1.17
Rot. Bonds4

About 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid

7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 140528333) has the molecular formula C18H14FN3O5 and a molecular weight of 371.32 g/mol. Its IUPAC name is 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
PubChem CID140528333
Molecular FormulaC18H14FN3O5
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3C(N)=O)cc21
InChIInChI=1S/C18H14FN3O5/c1-22-12-5-8(4-9-2-3-10(19)6-11(9)16(20)24)7-21-14(12)15(23)13(17(22)25)18(26)27/h2-3,5-7,23H,4H2,1H3,(H2,20,24)(H,26,27)
InChIKeyPGIVZFIIRYLJFU-UHFFFAOYSA-N
XLogP1.17
TPSA135.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid (CID 140528333) is 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid is Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)cc3C(N)=O)cc21.
What is the InChIKey of 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is PGIVZFIIRYLJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O5/c1-22-12-5-8(4-9-2-3-10(19)6-11(9)16(20)24)7-21-14(12)15(23)13(17(22)25)18(26)27/h2-3,5-7,23H,4H2,1H3,(H2,20,24)(H,26,27).
What are the key properties of 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 371.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-carbamoyl-4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 140528333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).