2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide

C27H22N4O — CID 112820574

IUPAC2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C27H22N4O/c1-18-23(17-26(32)30-21-11-7-10-20(16-21)24-14-15-28-31-24)27(19-8-3-2-4-9-19)22-12-5-6-13-25(22)29-18/h2-16H,17H2,1H3,(H,28,31)(H,30,32)
InChIKeyZNRQEAASIWFNEC-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.78
Rot. Bonds5

About 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide

2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide (PubChem CID 112820574) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
PubChem CID112820574
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C27H22N4O/c1-18-23(17-26(32)30-21-11-7-10-20(16-21)24-14-15-28-31-24)27(19-8-3-2-4-9-19)22-12-5-6-13-25(22)29-18/h2-16H,17H2,1H3,(H,28,31)(H,30,32)
InChIKeyZNRQEAASIWFNEC-UHFFFAOYSA-N
XLogP5.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
CID 112834104
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
CID 39230533
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide (CID 112820574) is 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
The InChIKey is ZNRQEAASIWFNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-18-23(17-26(32)30-21-11-7-10-20(16-21)24-14-15-28-31-24)27(19-8-3-2-4-9-19)22-12-5-6-13-25(22)29-18/h2-16H,17H2,1H3,(H,28,31)(H,30,32).
What are the key properties of 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide?
2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 112820574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).