ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate

C19H19ClN2O2 — CID 4912414

IUPACethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
SMILESCCOC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O2/c1-2-24-18(23)8-5-6-14-15-12-13(20)9-10-16(15)22-19(14)17-7-3-4-11-21-17/h3-4,7,9-12,22H,2,5-6,8H2,1H3
InChIKeyMPNJFPOINTUJHV-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.77
Rot. Bonds6

About ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate

ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate (PubChem CID 4912414) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
PubChem CID4912414
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Nameethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate
SMILESCCOC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H19ClN2O2/c1-2-24-18(23)8-5-6-14-15-12-13(20)9-10-16(15)22-19(14)17-7-3-4-11-21-17/h3-4,7,9-12,22H,2,5-6,8H2,1H3
InChIKeyMPNJFPOINTUJHV-UHFFFAOYSA-N
XLogP4.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate 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 ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The IUPAC name of ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate (CID 4912414) is ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The canonical SMILES for ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate is CCOC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
The InChIKey is MPNJFPOINTUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-24-18(23)8-5-6-14-15-12-13(20)9-10-16(15)22-19(14)17-7-3-4-11-21-17/h3-4,7,9-12,22H,2,5-6,8H2,1H3.
What are the key properties of ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate?
ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate has a molecular weight of 342.83 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoate is sourced from PubChem (CID 4912414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).