ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate

C15H15NO2 — CID 59134931

IUPACethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(C)=C\c1ccc2ccccc2n1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)11(2)10-13-9-8-12-6-4-5-7-14(12)16-13/h4-10H,3H2,1-2H3/b11-10-
InChIKeyWEGVZFGHSGUTLI-KHPPLWFESA-N
MW241.29 g/mol
LogP3.20
Rot. Bonds3

About ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate

ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate (PubChem CID 59134931) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
PubChem CID59134931
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(C)=C\c1ccc2ccccc2n1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)11(2)10-13-9-8-12-6-4-5-7-14(12)16-13/h4-10H,3H2,1-2H3/b11-10-
InChIKeyWEGVZFGHSGUTLI-KHPPLWFESA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
2-(2-chloroprop-1-enyl)quinoline
CID 173335992
(E,4E)-3-methyl-4-(quinolin-2-ylmethylidene)pent-2-enedioate
CID 25421122
3-bromo-1-quinolin-2-ylprop-1-en-2-ol
CID 168664823
diethyl 2-[(2-chloroquinolin-3-yl)methylidene]propanedioate
CID 10426976
ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate
CID 135713038
ethyl 2-cyano-3-(quinolin-2-ylamino)prop-2-enoate
CID 70633577
ethyl 1-methyl-4-[(E)-2-quinolin-2-ylethenyl]pyrrole-2-carboxylate
CID 67392515
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
(E)-3-methyl-N-propyl-4-quinolin-2-ylbut-3-en-2-amine
CID 103093597

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate (CID 59134931) is ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate is CCOC(=O)/C(C)=C\c1ccc2ccccc2n1.
What is the InChIKey of ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate?
The InChIKey is WEGVZFGHSGUTLI-KHPPLWFESA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)11(2)10-13-9-8-12-6-4-5-7-14(12)16-13/h4-10H,3H2,1-2H3/b11-10-.
What are the key properties of ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate?
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate is sourced from PubChem (CID 59134931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).