ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate

C15H15NO2 — CID 169480915

IUPACethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)9-6-12-5-8-14-13(10-12)7-4-11(2)16-14/h4-10H,3H2,1-2H3
InChIKeyBXLHMVHSOAAESP-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.12
Rot. Bonds3

About ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate

ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate (PubChem CID 169480915) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
PubChem CID169480915
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 3-(2-methylquinolin-6-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H15NO2/c1-3-18-15(17)9-6-12-5-8-14-13(10-12)7-4-11(2)16-14/h4-10H,3H2,1-2H3
InChIKeyBXLHMVHSOAAESP-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl 3-(2-amino-1,3-benzothiazol-6-yl)prop-2-enoate
CID 169480476
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
ethyl (E)-3-(3-formyl-4-hydroxyphenyl)prop-2-enoate
CID 10775274
ethyl 3-(4-chloro-3-formylphenyl)prop-2-enoate
CID 169480260
5-(3-ethoxy-3-oxoprop-1-enyl)-1-benzofuran-2-carboxylic acid
CID 169480947
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl (E)-3-(2-amino-4-pyridinyl)prop-2-enoate
CID 68688040

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate (CID 169480915) is ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc2nc(C)ccc2c1.
What is the InChIKey of ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate?
The InChIKey is BXLHMVHSOAAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-18-15(17)9-6-12-5-8-14-13(10-12)7-4-11(2)16-14/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate?
ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylquinolin-6-yl)prop-2-enoate is sourced from PubChem (CID 169480915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).