ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate

C18H19N3O3 — CID 82108488

IUPACethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
SMILESCCOC(=O)COc1cccc2ccc(-n3nc(C)cc3C)nc12
InChIInChI=1S/C18H19N3O3/c1-4-23-17(22)11-24-15-7-5-6-14-8-9-16(19-18(14)15)21-13(3)10-12(2)20-21/h5-10H,4,11H2,1-3H3
InChIKeySCXWLBDPULBAQK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.98
Rot. Bonds5

About ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate

ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate (PubChem CID 82108488) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
PubChem CID82108488
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
SMILESCCOC(=O)COc1cccc2ccc(-n3nc(C)cc3C)nc12
InChIInChI=1S/C18H19N3O3/c1-4-23-17(22)11-24-15-7-5-6-14-8-9-16(19-18(14)15)21-13(3)10-12(2)20-21/h5-10H,4,11H2,1-3H3
InChIKeySCXWLBDPULBAQK-UHFFFAOYSA-N
XLogP2.98
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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

2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
CID 110382591
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108492
ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108485
2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
ethyl 2-(8-ethoxy-2-methylquinolin-4-yl)oxyacetate
CID 66487495
5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine
CID 82108382
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
CID 169366091
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
CID 157187192
ethyl 2-[2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-yl]oxyacetate
CID 74539328
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852
ethyl 2-[2-[(Z)-2-(8-phenylmethoxyquinolin-2-yl)ethenyl]phenoxy]acetate
CID 93012870

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate (CID 82108488) is ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate is CCOC(=O)COc1cccc2ccc(-n3nc(C)cc3C)nc12.
What is the InChIKey of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate?
The InChIKey is SCXWLBDPULBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-23-17(22)11-24-15-7-5-6-14-8-9-16(19-18(14)15)21-13(3)10-12(2)20-21/h5-10H,4,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate?
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate has a molecular weight of 325.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate is sourced from PubChem (CID 82108488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).