2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid

Name: 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆N₄O₂ — CID 50806130

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid

SMILESCN(CCc1cn[nH]c1)c1cc(C(=O)O)c2ccccc2n1

InChIInChI=1S/C16H16N4O2/c1-20(7-6-11-9-17-18-10-11)15-8-13(16(21)22)12-4-2-3-5-14(12)19-15/h2-5,8-10H,6-7H2,1H3,(H,17,18)(H,21,22)

InChIKeyWGCNZKQJQBPIBS-UHFFFAOYSA-N

MW296.33 g/mol

LogP2.34

Rot. Bonds5

About 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid

2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid (PubChem CID 50806130) has the molecular formula C₁₆H₁₆N₄O₂ and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name	2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
PubChem CID	50806130
Molecular Formula	C₁₆H₁₆N₄O₂
Molecular Weight	296.33 g/mol
Exact Mass	296.13
IUPAC Name	2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
SMILES	CN(CCc1cn[nH]c1)c1cc(C(=O)O)c2ccccc2n1
InChI	InChI=1S/C16H16N4O2/c1-20(7-6-11-9-17-18-10-11)15-8-13(16(21)22)12-4-2-3-5-14(12)19-15/h2-5,8-10H,6-7H2,1H3,(H,17,18)(H,21,22)
InChIKey	WGCNZKQJQBPIBS-UHFFFAOYSA-N
XLogP	2.34
TPSA	82.11 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.33
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid?

The IUPAC name of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid (CID 50806130) is 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid.

What is the SMILES notation for 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid?

The canonical SMILES for 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid is CN(CCc1cn[nH]c1)c1cc(C(=O)O)c2ccccc2n1.

What is the InChIKey of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid?

The InChIKey is WGCNZKQJQBPIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-20(7-6-11-9-17-18-10-11)15-8-13(16(21)22)12-4-2-3-5-14(12)19-15/h2-5,8-10H,6-7H2,1H3,(H,17,18)(H,21,22).

What are the key properties of 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid?

2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid is sourced from PubChem (CID 50806130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 50806130 — identifiers, structure, computed properties (public domain)

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