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

C16H16N4O2 — CID 50806130

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 Name2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
PubChem CID50806130
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[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
XLogP2.34
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide
CID 146045781
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
CID 43375386
4-N,6-N,6-N-trimethyl-4-N-[2-(1H-pyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 50959299
2-[2-methoxyethyl(methyl)amino]quinoline-4-carbothioamide
CID 63885735
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347
N-methyl-2-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56753256
N-methyl-2-(3-phenylpropyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 25460055
2-(2-hydroxy-2-methylpropyl)quinoline-4-carboxylic acid
CID 9350367
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 42214678

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).