ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate

C16H19NO3 — CID 142191892

IUPACethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
SMILESCCOC(=O)C(C)(C)Oc1cc(C)nc2ccccc12
InChIInChI=1S/C16H19NO3/c1-5-19-15(18)16(3,4)20-14-10-11(2)17-13-9-7-6-8-12(13)14/h6-10H,5H2,1-4H3
InChIKeyXVOHAXVMLZVFEC-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.26
Rot. Bonds4

About ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate

ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate (PubChem CID 142191892) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
PubChem CID142191892
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
SMILESCCOC(=O)C(C)(C)Oc1cc(C)nc2ccccc12
InChIInChI=1S/C16H19NO3/c1-5-19-15(18)16(3,4)20-14-10-11(2)17-13-9-7-6-8-12(13)14/h6-10H,5H2,1-4H3
InChIKeyXVOHAXVMLZVFEC-UHFFFAOYSA-N
XLogP3.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate
CID 12964460
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
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CID 58244182
ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191912
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
CID 70676553
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]quinolin-4-yl]oxy-2-methylpropanoic acid
CID 22185107
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
ethyl 2-(10-methoxyphenanthridin-6-yl)-2-methylpropanoate
CID 165176439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate (CID 142191892) is ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate is CCOC(=O)C(C)(C)Oc1cc(C)nc2ccccc12.
What is the InChIKey of ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate?
The InChIKey is XVOHAXVMLZVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-19-15(18)16(3,4)20-14-10-11(2)17-13-9-7-6-8-12(13)14/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate?
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate has a molecular weight of 273.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate is sourced from PubChem (CID 142191892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).