5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid

C17H14N2O4 — CID 137285330

IUPAC5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid
SMILESCc1cc2c(O)c(C(=O)O)nc(C)c2nc1Oc1ccccc1
InChIInChI=1S/C17H14N2O4/c1-9-8-12-13(10(2)18-14(15(12)20)17(21)22)19-16(9)23-11-6-4-3-5-7-11/h3-8,20H,1-2H3,(H,21,22)
InChIKeyXAQJJMVWHHOTGC-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.44
Rot. Bonds3

About 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid

5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid (PubChem CID 137285330) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid
PubChem CID137285330
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid
SMILESCc1cc2c(O)c(C(=O)O)nc(C)c2nc1Oc1ccccc1
InChIInChI=1S/C17H14N2O4/c1-9-8-12-13(10(2)18-14(15(12)20)17(21)22)19-16(9)23-11-6-4-3-5-7-11/h3-8,20H,1-2H3,(H,21,22)
InChIKeyXAQJJMVWHHOTGC-UHFFFAOYSA-N
XLogP3.44
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid?
The IUPAC name of 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid (CID 137285330) is 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid?
The canonical SMILES for 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid is Cc1cc2c(O)c(C(=O)O)nc(C)c2nc1Oc1ccccc1.
What is the InChIKey of 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid?
The InChIKey is XAQJJMVWHHOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-8-12-13(10(2)18-14(15(12)20)17(21)22)19-16(9)23-11-6-4-3-5-7-11/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid?
5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 137285330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).