2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C19H22N4O — CID 30182174

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C19H22N4O/c1-12(2)23-18(9-10-20-23)22-19(24)11-16-13(3)15-7-5-6-8-17(15)21-14(16)4/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyMCAJAKLCCVSWBU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.81
Rot. Bonds4

About 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 30182174) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID30182174
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C19H22N4O/c1-12(2)23-18(9-10-20-23)22-19(24)11-16-13(3)15-7-5-6-8-17(15)21-14(16)4/h5-10,12H,11H2,1-4H3,(H,22,24)
InChIKeyMCAJAKLCCVSWBU-UHFFFAOYSA-N
XLogP3.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 30182174) is 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is MCAJAKLCCVSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)23-18(9-10-20-23)22-19(24)11-16-13(3)15-7-5-6-8-17(15)21-14(16)4/h5-10,12H,11H2,1-4H3,(H,22,24).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 30182174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).