N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide

C19H22N4O2 — CID 72884552

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)n(CCN(C)C(=O)Cn2c(=O)ccc3ccccc32)n1
InChIInChI=1S/C19H22N4O2/c1-14-12-15(2)23(20-14)11-10-21(3)19(25)13-22-17-7-5-4-6-16(17)8-9-18(22)24/h4-9,12H,10-11,13H2,1-3H3
InChIKeyOTHQFHAZQAQVJU-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide (PubChem CID 72884552) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide
PubChem CID72884552
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)n(CCN(C)C(=O)Cn2c(=O)ccc3ccccc32)n1
InChIInChI=1S/C19H22N4O2/c1-14-12-15(2)23(20-14)11-10-21(3)19(25)13-22-17-7-5-4-6-16(17)8-9-18(22)24/h4-9,12H,10-11,13H2,1-3H3
InChIKeyOTHQFHAZQAQVJU-UHFFFAOYSA-N
XLogP1.97
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31105412
methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
CID 61030565
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 114230520
(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 97280494
N-[(2-bromophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylacetamide
CID 60697714
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
CID 119060682
2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
CID 90677359

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide (CID 72884552) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide is Cc1cc(C)n(CCN(C)C(=O)Cn2c(=O)ccc3ccccc32)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide?
The InChIKey is OTHQFHAZQAQVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-12-15(2)23(20-14)11-10-21(3)19(25)13-22-17-7-5-4-6-16(17)8-9-18(22)24/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 72884552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).