methyl 2-ethenylquinoline-4-carboxylate

C13H11NO2 — CID 150736988

IUPACmethyl 2-ethenylquinoline-4-carboxylate
SMILESC=Cc1cc(C(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H11NO2/c1-3-9-8-11(13(15)16-2)10-6-4-5-7-12(10)14-9/h3-8H,1H2,2H3
InChIKeyJTAICQVUYGVETR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.66
Rot. Bonds2

About methyl 2-ethenylquinoline-4-carboxylate

methyl 2-ethenylquinoline-4-carboxylate (PubChem CID 150736988) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 2-ethenylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenylquinoline-4-carboxylate
PubChem CID150736988
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-ethenylquinoline-4-carboxylate
SMILESC=Cc1cc(C(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H11NO2/c1-3-9-8-11(13(15)16-2)10-6-4-5-7-12(10)14-9/h3-8H,1H2,2H3
InChIKeyJTAICQVUYGVETR-UHFFFAOYSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-ethenylquinoline-4-carboxylate 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

methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-[(E)-2-(2-methoxycarbonylphenyl)ethenyl]quinoline-4-carboxylate
CID 9031188
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl acridine-9-carboxylate
CID 21211
copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
CID 158944802
methyl acridine-1-carboxylate
CID 54560619
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
methyl 2-hexan-2-ylquinoline-4-carboxylate
CID 175947159
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
2-formylquinoline-4-carboxamide
CID 15560688

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenylquinoline-4-carboxylate?
The IUPAC name of methyl 2-ethenylquinoline-4-carboxylate (CID 150736988) is methyl 2-ethenylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-ethenylquinoline-4-carboxylate?
The canonical SMILES for methyl 2-ethenylquinoline-4-carboxylate is C=Cc1cc(C(=O)OC)c2ccccc2n1.
What is the InChIKey of methyl 2-ethenylquinoline-4-carboxylate?
The InChIKey is JTAICQVUYGVETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-3-9-8-11(13(15)16-2)10-6-4-5-7-12(10)14-9/h3-8H,1H2,2H3.
What are the key properties of methyl 2-ethenylquinoline-4-carboxylate?
methyl 2-ethenylquinoline-4-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenylquinoline-4-carboxylate is sourced from PubChem (CID 150736988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).