2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate

C18H14ClN2O3- — CID 18542262

IUPAC2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
SMILESCCc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)[O-])c1
InChIInChI=1S/C18H15ClN2O3/c1-2-10-5-6-20-15(7-10)18(24)17-13(9-16(22)23)12-4-3-11(19)8-14(12)21-17/h3-8,21H,2,9H2,1H3,(H,22,23)/p-1
InChIKeyRGLFGUMIFBYKFQ-UHFFFAOYSA-M
MW341.77 g/mol
LogP2.30
Rot. Bonds5

About 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate

2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate (PubChem CID 18542262) has the molecular formula C18H14ClN2O3- and a molecular weight of 341.77 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Name2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
PubChem CID18542262
Molecular FormulaC18H14ClN2O3-
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC Name2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
SMILESCCc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)[O-])c1
InChIInChI=1S/C18H15ClN2O3/c1-2-10-5-6-20-15(7-10)18(24)17-13(9-16(22)23)12-4-3-11(19)8-14(12)21-17/h3-8,21H,2,9H2,1H3,(H,22,23)/p-1
InChIKeyRGLFGUMIFBYKFQ-UHFFFAOYSA-M
XLogP2.30
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
The IUPAC name of 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate (CID 18542262) is 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate.
What is the SMILES notation for 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
The canonical SMILES for 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate is CCc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)[O-])c1.
What is the InChIKey of 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
The InChIKey is RGLFGUMIFBYKFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15ClN2O3/c1-2-10-5-6-20-15(7-10)18(24)17-13(9-16(22)23)12-4-3-11(19)8-14(12)21-17/h3-8,21H,2,9H2,1H3,(H,22,23)/p-1.
What are the key properties of 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate?
2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate has a molecular weight of 341.77 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate is sourced from PubChem (CID 18542262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).