ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate

C19H16N2O2 — CID 69104066

IUPACethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate
SMILESC=Cc1ccc2ncc(C(=O)OCC)c(-c3ccncc3)c2c1
InChIInChI=1S/C19H16N2O2/c1-3-13-5-6-17-15(11-13)18(14-7-9-20-10-8-14)16(12-21-17)19(22)23-4-2/h3,5-12H,1,4H2,2H3
InChIKeyVIALDNRFEQUWHL-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.12
Rot. Bonds4

About ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate

ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate (PubChem CID 69104066) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate
PubChem CID69104066
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Nameethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate
SMILESC=Cc1ccc2ncc(C(=O)OCC)c(-c3ccncc3)c2c1
InChIInChI=1S/C19H16N2O2/c1-3-13-5-6-17-15(11-13)18(14-7-9-20-10-8-14)16(12-21-17)19(22)23-4-2/h3,5-12H,1,4H2,2H3
InChIKeyVIALDNRFEQUWHL-UHFFFAOYSA-N
XLogP4.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-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

ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
ethyl 4-ethoxy-2-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
CID 15033192
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
4-ethenylpyridine;ethyl carbamate
CID 174889684
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
ethyl 2-(2,5-dimethylpyrrol-1-yl)-4-ethenylbenzoate
CID 90154758
ethyl 4-[(E)-3-phenylprop-2-enoxy]-1,6-naphthyridine-3-carboxylate
CID 167867809
ethyl 2-methoxy-5-pyridin-4-ylpyridine-4-carboxylate
CID 46317912
ethyl 4-[3,5-bis(trifluoromethyl)phenyl]-7-(trifluoromethyl)quinoline-3-carboxylate
CID 59205201
ethyl 6-bromo-4-(diethylamino)quinoline-3-carboxylate
CID 46397800

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate (CID 69104066) is ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate is C=Cc1ccc2ncc(C(=O)OCC)c(-c3ccncc3)c2c1.
What is the InChIKey of ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate?
The InChIKey is VIALDNRFEQUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-3-13-5-6-17-15(11-13)18(14-7-9-20-10-8-14)16(12-21-17)19(22)23-4-2/h3,5-12H,1,4H2,2H3.
What are the key properties of ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate?
ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethenyl-4-pyridin-4-ylquinoline-3-carboxylate is sourced from PubChem (CID 69104066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).