2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C22H24N4O — CID 18166183

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H24N4O/c1-24(15-18-14-23-26(16-18)20-10-3-2-4-11-20)22(27)17-25-13-7-9-19-8-5-6-12-21(19)25/h2-6,8,10-12,14,16H,7,9,13,15,17H2,1H3
InChIKeyZMKGMKSNQCOXKS-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.28
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 18166183) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID18166183
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H24N4O/c1-24(15-18-14-23-26(16-18)20-10-3-2-4-11-20)22(27)17-25-13-7-9-19-8-5-6-12-21(19)25/h2-6,8,10-12,14,16H,7,9,13,15,17H2,1H3
InChIKeyZMKGMKSNQCOXKS-UHFFFAOYSA-N
XLogP3.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166202
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
1-(2,3-dihydroindol-1-yl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethanone
CID 26684955
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240
2-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]sulfanylbenzoic acid
CID 17494555
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 21174664
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 18166183) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is ZMKGMKSNQCOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-24(15-18-14-23-26(16-18)20-10-3-2-4-11-20)22(27)17-25-13-7-9-19-8-5-6-12-21(19)25/h2-6,8,10-12,14,16H,7,9,13,15,17H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 18166183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).