methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate

C18H19N3O3 — CID 82108492

IUPACmethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
SMILESCOC(=O)C(C)Oc1cccc2ccc(-n3nc(C)cc3C)nc12
InChIInChI=1S/C18H19N3O3/c1-11-10-12(2)21(20-11)16-9-8-14-6-5-7-15(17(14)19-16)24-13(3)18(22)23-4/h5-10,13H,1-4H3
InChIKeyWQGKCUCCBFBEBA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.98
Rot. Bonds4

About methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate

methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate (PubChem CID 82108492) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
PubChem CID82108492
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
SMILESCOC(=O)C(C)Oc1cccc2ccc(-n3nc(C)cc3C)nc12
InChIInChI=1S/C18H19N3O3/c1-11-10-12(2)21(20-11)16-9-8-14-6-5-7-15(17(14)19-16)24-13(3)18(22)23-4/h5-10,13H,1-4H3
InChIKeyWQGKCUCCBFBEBA-UHFFFAOYSA-N
XLogP2.98
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108485
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
CID 82108488
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
CID 110382591
2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
CID 157187192
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-[[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168607155
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
CID 169366091
methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
CID 71075712
2-(2-hydrazinylquinolin-8-yl)oxypropanamide
CID 82108508
methyl 2-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl)oxypropanoate
CID 117060622
5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine
CID 82108382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
The IUPAC name of methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate (CID 82108492) is methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate.
What is the SMILES notation for methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
The canonical SMILES for methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate is COC(=O)C(C)Oc1cccc2ccc(-n3nc(C)cc3C)nc12.
What is the InChIKey of methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
The InChIKey is WQGKCUCCBFBEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-10-12(2)21(20-11)16-9-8-14-6-5-7-15(17(14)19-16)24-13(3)18(22)23-4/h5-10,13H,1-4H3.
What are the key properties of methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate has a molecular weight of 325.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate is sourced from PubChem (CID 82108492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).