ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate

C19H18N2O3 — CID 67355594

IUPACethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)C=C(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2/h4-12,21H,3H2,1-2H3
InChIKeyIOEMXAPKOVRJMN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.57
Rot. Bonds5

About ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate

ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate (PubChem CID 67355594) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate
PubChem CID67355594
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate
SMILESCCOC(=O)C=C(c1cc(OC)c2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2/h4-12,21H,3H2,1-2H3
InChIKeyIOEMXAPKOVRJMN-UHFFFAOYSA-N
XLogP3.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-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

ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
ethyl 3-(1H-indol-3-yl)-3-(1H-indol-6-yl)prop-2-enoate
CID 67355319
ethyl pyridine-2-carboxylate
CID 17307
ethyl 3-(3-isocyano-1H-indol-6-yl)-3-phenylprop-2-enoate
CID 72573238
ethyl 3-[2-(methoxymethoxy)-3-methylphenyl]-3-(2-methoxyphenyl)prop-2-enoate
CID 54221000
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
ethyl 4-(pyridine-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 168911940
ethyl (E)-3-(7-fluoro-1H-indol-5-yl)-3-phenylprop-2-enoate
CID 67355654
ethyl (Z)-3-(7-fluoro-1H-indol-5-yl)-3-phenylprop-2-enoate
CID 59831746
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?
The IUPAC name of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate (CID 67355594) is ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?
The canonical SMILES for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate is CCOC(=O)C=C(c1cc(OC)c2cc[nH]c2c1)c1ccccn1.
What is the InChIKey of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?
The InChIKey is IOEMXAPKOVRJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(22)12-15(16-6-4-5-8-20-16)13-10-17-14(7-9-21-17)18(11-13)23-2/h4-12,21H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate?
ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate has a molecular weight of 322.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxy-1H-indol-6-yl)-3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 67355594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).