6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid

C17H13ClN2O5 — CID 54730572

IUPAC6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2c(=O)c(C(=O)O)c(O)c3cc(Cl)cnc32)cc1
InChIInChI=1S/C17H13ClN2O5/c1-25-11-4-2-9(3-5-11)8-20-15-12(6-10(18)7-19-15)14(21)13(16(20)22)17(23)24/h2-7,21H,8H2,1H3,(H,23,24)
InChIKeyAQSPZXREQJEEHL-UHFFFAOYSA-N
MW360.75 g/mol
LogP2.51
Rot. Bonds4

About 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid

6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 54730572) has the molecular formula C17H13ClN2O5 and a molecular weight of 360.75 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID54730572
Molecular FormulaC17H13ClN2O5
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC Name6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2c(=O)c(C(=O)O)c(O)c3cc(Cl)cnc32)cc1
InChIInChI=1S/C17H13ClN2O5/c1-25-11-4-2-9(3-5-11)8-20-15-12(6-10(18)7-19-15)14(21)13(16(20)22)17(23)24/h2-7,21H,8H2,1H3,(H,23,24)
InChIKeyAQSPZXREQJEEHL-UHFFFAOYSA-N
XLogP2.51
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid (CID 54730572) is 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid is COc1ccc(Cn2c(=O)c(C(=O)O)c(O)c3cc(Cl)cnc32)cc1.
What is the InChIKey of 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is AQSPZXREQJEEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5/c1-25-11-4-2-9(3-5-11)8-20-15-12(6-10(18)7-19-15)14(21)13(16(20)22)17(23)24/h2-7,21H,8H2,1H3,(H,23,24).
What are the key properties of 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid?
6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 360.75 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 54730572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).