2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide

C19H22N4O2 — CID 110382591

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cccc2ccc(-n3nc(C)cc3C)nc12
InChIInChI=1S/C19H22N4O2/c1-4-10-20-18(24)12-25-16-7-5-6-15-8-9-17(21-19(15)16)23-14(3)11-13(2)22-23/h5-9,11H,4,10,12H2,1-3H3,(H,20,24)
InChIKeyBXBMANHHGJMKGE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.94
Rot. Bonds6

About 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide

2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide (PubChem CID 110382591) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
PubChem CID110382591
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cccc2ccc(-n3nc(C)cc3C)nc12
InChIInChI=1S/C19H22N4O2/c1-4-10-20-18(24)12-25-16-7-5-6-15-8-9-17(21-19(15)16)23-14(3)11-13(2)22-23/h5-9,11H,4,10,12H2,1-3H3,(H,20,24)
InChIKeyBXBMANHHGJMKGE-UHFFFAOYSA-N
XLogP2.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
CID 82108488
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108492
2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122290113
ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108485
[2-(butylamino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704701
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90570891
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
CID 169366091
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
CID 90538978
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
N-[(2S)-butan-2-yl]-2-(2-methylquinolin-8-yl)oxyacetamide
CID 7701891
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide (CID 110382591) is 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide is CCCNC(=O)COc1cccc2ccc(-n3nc(C)cc3C)nc12.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide?
The InChIKey is BXBMANHHGJMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-10-20-18(24)12-25-16-7-5-6-15-8-9-17(21-19(15)16)23-14(3)11-13(2)22-23/h5-9,11H,4,10,12H2,1-3H3,(H,20,24).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide is sourced from PubChem (CID 110382591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).