ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate

C18H20N4O3 — CID 82108485

IUPACethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1cccc2ccc(-n3nc(C)cc3N)nc12
InChIInChI=1S/C18H20N4O3/c1-4-24-18(23)12(3)25-14-7-5-6-13-8-9-16(20-17(13)14)22-15(19)10-11(2)21-22/h5-10,12H,4,19H2,1-3H3
InChIKeyDRCICUCBMCKHOW-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate

ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate (PubChem CID 82108485) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
PubChem CID82108485
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
SMILESCCOC(=O)C(C)Oc1cccc2ccc(-n3nc(C)cc3N)nc12
InChIInChI=1S/C18H20N4O3/c1-4-24-18(23)12(3)25-14-7-5-6-13-8-9-16(20-17(13)14)22-15(19)10-11(2)21-22/h5-10,12H,4,19H2,1-3H3
InChIKeyDRCICUCBMCKHOW-UHFFFAOYSA-N
XLogP2.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108492
5-methyl-2-[8-[(2-methylphenyl)methoxy]quinolin-2-yl]pyrazol-3-amine
CID 82108382
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
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
CID 157187192
2-(2-hydrazinylquinolin-8-yl)oxypropanamide
CID 82108508
3-(2-methylquinolin-8-yl)oxypentan-1-amine
CID 43175250
2-(3,5-dimethylpyrazol-1-yl)-8-methylquinoline
CID 122647894
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
ethyl (2R)-2-[2-[[2-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxyphenyl]diselanyl]phenoxy]propanoate
CID 56931322

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
The IUPAC name of ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate (CID 82108485) is ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate is CCOC(=O)C(C)Oc1cccc2ccc(-n3nc(C)cc3N)nc12.
What is the InChIKey of ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
The InChIKey is DRCICUCBMCKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-24-18(23)12(3)25-14-7-5-6-13-8-9-16(20-17(13)14)22-15(19)10-11(2)21-22/h5-10,12H,4,19H2,1-3H3.
What are the key properties of ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate?
ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate has a molecular weight of 340.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-amino-3-methylpyrazol-1-yl)quinolin-8-yl]oxypropanoate is sourced from PubChem (CID 82108485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).