ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C21H17FN2O2 — CID 15630174

IUPACethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3nc-2cn1Cc1ccccc1F
InChIInChI=1S/C21H17FN2O2/c1-2-26-21(25)20-11-16-15-8-4-6-10-18(15)23-19(16)13-24(20)12-14-7-3-5-9-17(14)22/h3-11,13H,2,12H2,1H3
InChIKeyUBMSVJAKZFMCNB-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.51
Rot. Bonds4

About ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 15630174) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
PubChem CID15630174
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Nameethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3nc-2cn1Cc1ccccc1F
InChIInChI=1S/C21H17FN2O2/c1-2-26-21(25)20-11-16-15-8-4-6-10-18(15)23-19(16)13-24(20)12-14-7-3-5-9-17(14)22/h3-11,13H,2,12H2,1H3
InChIKeyUBMSVJAKZFMCNB-UHFFFAOYSA-N
XLogP4.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-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 Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Indocate
CID 65776
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
Amindocate
CID 178144
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
4-Methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041786
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,3-[(2-ethoxyethoxy)methyl]-1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-
CID 15957085
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-3-(methoxymethyl)-n-methyl-
CID 15957087
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 14151061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 15630174) is ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3nc-2cn1Cc1ccccc1F.
What is the InChIKey of ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is UBMSVJAKZFMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-2-26-21(25)20-11-16-15-8-4-6-10-18(15)23-19(16)13-24(20)12-14-7-3-5-9-17(14)22/h3-11,13H,2,12H2,1H3.
What are the key properties of ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 15630174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).