ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate

C19H23NO3 — CID 82580047

IUPACethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(C)nc2ccc(OCC(C)C)cc12
InChIInChI=1S/C19H23NO3/c1-5-22-19(21)9-6-15-10-14(4)20-18-8-7-16(11-17(15)18)23-12-13(2)3/h6-11,13H,5,12H2,1-4H3/b9-6+
InChIKeyQEZMWVVFZOXBIV-RMKNXTFCSA-N
MW313.40 g/mol
LogP4.15
Rot. Bonds6

About ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate

ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate (PubChem CID 82580047) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate
PubChem CID82580047
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(C)nc2ccc(OCC(C)C)cc12
InChIInChI=1S/C19H23NO3/c1-5-22-19(21)9-6-15-10-14(4)20-18-8-7-16(11-17(15)18)23-12-13(2)3/h6-11,13H,5,12H2,1-4H3/b9-6+
InChIKeyQEZMWVVFZOXBIV-RMKNXTFCSA-N
XLogP4.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[2-methyl-6-(trifluoromethoxy)quinolin-4-yl]prop-2-enoate
CID 82580049
ethyl (E)-3-(7-methoxy-2-methylquinolin-4-yl)prop-2-enoate
CID 82580013
1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
CID 82575836
2-methylpropyl (E)-3-(2-amino-6-methyl-3-pyridinyl)prop-2-enoate
CID 134242649
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl (E)-3-(3-methylisoquinolin-5-yl)prop-2-enoate
CID 82579894
[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 82573659
ethyl (E)-3-(2,5,8-trimethylquinolin-4-yl)prop-2-enoate
CID 82580010
ethyl (E)-3-(8-tert-butyl-2-methylquinolin-4-yl)prop-2-enoate
CID 82580029
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate (CID 82580047) is ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate is CCOC(=O)/C=C/c1cc(C)nc2ccc(OCC(C)C)cc12.
What is the InChIKey of ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate?
The InChIKey is QEZMWVVFZOXBIV-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-22-19(21)9-6-15-10-14(4)20-18-8-7-16(11-17(15)18)23-12-13(2)3/h6-11,13H,5,12H2,1-4H3/b9-6+.
What are the key properties of ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate?
ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate has a molecular weight of 313.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]prop-2-enoate is sourced from PubChem (CID 82580047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).