4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid

C14H12N4O2 — CID 79779480

IUPAC4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
SMILESCn1ccc(Nc2cc(C(=O)O)nc3ccccc23)n1
InChIInChI=1S/C14H12N4O2/c1-18-7-6-13(17-18)16-11-8-12(14(19)20)15-10-5-3-2-4-9(10)11/h2-8H,1H3,(H,19,20)(H,15,16,17)
InChIKeyISOKBHBUIUASOV-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.41
Rot. Bonds3

About 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid

4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid (PubChem CID 79779480) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
PubChem CID79779480
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
SMILESCn1ccc(Nc2cc(C(=O)O)nc3ccccc23)n1
InChIInChI=1S/C14H12N4O2/c1-18-7-6-13(17-18)16-11-8-12(14(19)20)15-10-5-3-2-4-9(10)11/h2-8H,1H3,(H,19,20)(H,15,16,17)
InChIKeyISOKBHBUIUASOV-UHFFFAOYSA-N
XLogP2.41
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid (CID 79779480) is 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid is Cn1ccc(Nc2cc(C(=O)O)nc3ccccc23)n1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid?
The InChIKey is ISOKBHBUIUASOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-18-7-6-13(17-18)16-11-8-12(14(19)20)15-10-5-3-2-4-9(10)11/h2-8H,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid?
4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 79779480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).