2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one

C21H20N4O — CID 77082791

IUPAC2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C21H20N4O/c1-24(14-16-7-9-18(10-8-16)25-12-4-11-22-25)15-17-13-21(26)19-5-2-3-6-20(19)23-17/h2-13H,14-15H2,1H3,(H,23,26)
InChIKeyDQTYJUVMJFXJPA-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.35
Rot. Bonds5

About 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one

2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 77082791) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one
PubChem CID77082791
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C21H20N4O/c1-24(14-16-7-9-18(10-8-16)25-12-4-11-22-25)15-17-13-21(26)19-5-2-3-6-20(19)23-17/h2-13H,14-15H2,1H3,(H,23,26)
InChIKeyDQTYJUVMJFXJPA-UHFFFAOYSA-N
XLogP3.35
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-3-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 56915637
N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
CID 70777675
1-methyl-5-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 138387699
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
3-ethyl-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 70711091
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one (CID 77082791) is 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one is CN(Cc1ccc(-n2cccn2)cc1)Cc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is DQTYJUVMJFXJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24(14-16-7-9-18(10-8-16)25-12-4-11-22-25)15-17-13-21(26)19-5-2-3-6-20(19)23-17/h2-13H,14-15H2,1H3,(H,23,26).
What are the key properties of 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one?
2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 344.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 77082791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).