2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid

C14H11N3O3 — CID 81341557

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid
SMILESCc1cc(Oc2ccc3c(C(=O)O)cccc3n2)n[nH]1
InChIInChI=1S/C14H11N3O3/c1-8-7-13(17-16-8)20-12-6-5-9-10(14(18)19)3-2-4-11(9)15-12/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyGDBDLQKFENHJFD-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.76
Rot. Bonds3

About 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid

2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid (PubChem CID 81341557) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid
PubChem CID81341557
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid
SMILESCc1cc(Oc2ccc3c(C(=O)O)cccc3n2)n[nH]1
InChIInChI=1S/C14H11N3O3/c1-8-7-13(17-16-8)20-12-6-5-9-10(14(18)19)3-2-4-11(9)15-12/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyGDBDLQKFENHJFD-UHFFFAOYSA-N
XLogP2.76
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
CID 83180987
3-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 115550991
ethyl 2-amino-3-[(5-methyl-1H-pyrazol-3-yl)oxy]benzoate
CID 113333382
2-bromoquinoline-5-carboxylic acid
CID 174440420
2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid
CID 106200392
methyl (5-methyl-1H-pyrazol-3-yl) carbonate
CID 23224073
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81341368
3-amino-2-(3-methylphenoxy)benzoic acid
CID 112579601
3-(8-carboxy-2-methylquinolin-3-yl)oxy-2-methylquinoline-8-carboxylic acid
CID 159563478
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128
3-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-nitrobenzoic acid
CID 82780459

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid (CID 81341557) is 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid is Cc1cc(Oc2ccc3c(C(=O)O)cccc3n2)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid?
The InChIKey is GDBDLQKFENHJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-8-7-13(17-16-8)20-12-6-5-9-10(14(18)19)3-2-4-11(9)15-12/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid?
2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]quinoline-5-carboxylic acid is sourced from PubChem (CID 81341557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).