ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate

C21H22N2O3 — CID 171812265

IUPACethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O3/c1-3-25-21(24)15(2)26-19-12-10-17(11-13-19)22-14-18-9-8-16-6-4-5-7-20(16)23-18/h4-13,15,22H,3,14H2,1-2H3
InChIKeyTYKDBXHXYFFNNO-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.18
Rot. Bonds7

About ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate

ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate (PubChem CID 171812265) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate
PubChem CID171812265
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(NCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H22N2O3/c1-3-25-21(24)15(2)26-19-12-10-17(11-13-19)22-14-18-9-8-16-6-4-5-7-20(16)23-18/h4-13,15,22H,3,14H2,1-2H3
InChIKeyTYKDBXHXYFFNNO-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
4-ethyl-N-(quinolin-2-ylmethyl)aniline
CID 29292689
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
2-ethoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774803
ethyl (2S)-2-cyano-3-quinolin-2-ylpropanoate
CID 98041403
CID 59993707
CID 59993707
3-methyl-2-(quinolin-2-ylmethylamino)butanamide
CID 103699285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate (CID 171812265) is ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(NCc2ccc3ccccc3n2)cc1.
What is the InChIKey of ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate?
The InChIKey is TYKDBXHXYFFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-25-21(24)15(2)26-19-12-10-17(11-13-19)22-14-18-9-8-16-6-4-5-7-20(16)23-18/h4-13,15,22H,3,14H2,1-2H3.
What are the key properties of ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate?
ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate has a molecular weight of 350.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(quinolin-2-ylmethylamino)phenoxy]propanoate is sourced from PubChem (CID 171812265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).