2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol

C21H20N4O — CID 56709649

IUPAC2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
SMILESCN(Cc1ccc2cccc(O)c2n1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H20N4O/c1-25(13-17-12-22-24-20(17)15-6-3-2-4-7-15)14-18-11-10-16-8-5-9-19(26)21(16)23-18/h2-12,26H,13-14H2,1H3,(H,22,24)
InChIKeyLUTKAVWIOPRDEK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.96
Rot. Bonds5

About 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol

2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol (PubChem CID 56709649) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
PubChem CID56709649
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
SMILESCN(Cc1ccc2cccc(O)c2n1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C21H20N4O/c1-25(13-17-12-22-24-20(17)15-6-3-2-4-7-15)14-18-11-10-16-8-5-9-19(26)21(16)23-18/h2-12,26H,13-14H2,1H3,(H,22,24)
InChIKeyLUTKAVWIOPRDEK-UHFFFAOYSA-N
XLogP3.96
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
CID 67454262
(1S)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 42596255
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
2-[methyl-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]amino]propanoic acid
CID 122036968
N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
CID 131892694
N,1,7-trimethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]indole-2-carboxamide
CID 72839693
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 77095832
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 77097342

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol (CID 56709649) is 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol is CN(Cc1ccc2cccc(O)c2n1)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol?
The InChIKey is LUTKAVWIOPRDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25(13-17-12-22-24-20(17)15-6-3-2-4-7-15)14-18-11-10-16-8-5-9-19(26)21(16)23-18/h2-12,26H,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol?
2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol has a molecular weight of 344.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 56709649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).