ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate

C15H15NO3 — CID 107313075

IUPACethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
SMILESC=C(COc1ccc2cccnc2c1)C(=O)OCC
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)11(2)10-19-13-7-6-12-5-4-8-16-14(12)9-13/h4-9H,2-3,10H2,1H3
InChIKeyBQGIFRWXOVCXMC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds5

About ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate

ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate (PubChem CID 107313075) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
PubChem CID107313075
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
SMILESC=C(COc1ccc2cccnc2c1)C(=O)OCC
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)11(2)10-19-13-7-6-12-5-4-8-16-14(12)9-13/h4-9H,2-3,10H2,1H3
InChIKeyBQGIFRWXOVCXMC-UHFFFAOYSA-N
XLogP2.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-quinolin-7-yloxyacetohydrazide
CID 107315402
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
ethyl 2-[(3-fluoro-4-methylphenoxy)methyl]prop-2-enoate
CID 107168373
1-(5-methylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314229
2-(4-ethoxyphenoxy)-N-(4-quinolin-7-yloxybut-2-ynyl)acetamide
CID 90580148
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
quinolin-7-yl N,N-diethylcarbamate
CID 11334036
7-(2,2-diethoxyethoxy)quinoline
CID 107314200
ethyl 2-[(2-chloro-5-methyl-6-phenyl-3-pyridinyl)oxymethyl]prop-2-enoate
CID 87445391
1-piperazin-1-yl-2-quinolin-7-yloxyethanone
CID 107313752
quinolin-7-yl N,N-dimethylcarbamate
CID 11218314
2-(ethylamino)-2-methyl-4-quinolin-7-yloxybutanamide
CID 107314784

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate (CID 107313075) is ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate is C=C(COc1ccc2cccnc2c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate?
The InChIKey is BQGIFRWXOVCXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-18-15(17)11(2)10-19-13-7-6-12-5-4-8-16-14(12)9-13/h4-9H,2-3,10H2,1H3.
What are the key properties of ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate?
ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate has a molecular weight of 257.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate is sourced from PubChem (CID 107313075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).