ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate

C15H15NO3 — CID 12964460

IUPACethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate
SMILESCCOC(=O)/C=C/Oc1cc(C)nc2ccccc12
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)8-9-19-14-10-11(2)16-13-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3/b9-8+
InChIKeySQOFPYXLOITTKF-CMDGGOBGSA-N
MW257.29 g/mol
LogP3.00
Rot. Bonds4

About ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate

ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate (PubChem CID 12964460) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate
PubChem CID12964460
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate
SMILESCCOC(=O)/C=C/Oc1cc(C)nc2ccccc12
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)8-9-19-14-10-11(2)16-13-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3/b9-8+
InChIKeySQOFPYXLOITTKF-CMDGGOBGSA-N
XLogP3.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
ethyl (Z)-3-(1,3-benzothiazol-2-yloxy)prop-2-enoate
CID 46906543
ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191912
ethyl 3-(2-acetylnaphthalen-1-yl)oxyprop-2-enoate
CID 156786580
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
ethyl (E)-3-(2-diphenylphosphanyl-3-methoxyphenoxy)prop-2-enoate
CID 102304463
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate (CID 12964460) is ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate is CCOC(=O)/C=C/Oc1cc(C)nc2ccccc12.
What is the InChIKey of ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate?
The InChIKey is SQOFPYXLOITTKF-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-18-15(17)8-9-19-14-10-11(2)16-13-7-5-4-6-12(13)14/h4-10H,3H2,1-2H3/b9-8+.
What are the key properties of ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate?
ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-methylquinolin-4-yl)oxyprop-2-enoate is sourced from PubChem (CID 12964460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).