ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate

C23H21ClN2O2 — CID 170075614

IUPACethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(CN)n(C)c2cc(-c3cccc4cccc(Cl)c34)ccc12
InChIInChI=1S/C23H21ClN2O2/c1-3-28-23(27)22-17-11-10-15(12-19(17)26(2)20(22)13-25)16-8-4-6-14-7-5-9-18(24)21(14)16/h4-12H,3,13,25H2,1-2H3
InChIKeyDCHDAENPPPTMIO-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.29
Rot. Bonds4

About ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate

ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate (PubChem CID 170075614) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate
PubChem CID170075614
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Nameethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(CN)n(C)c2cc(-c3cccc4cccc(Cl)c34)ccc12
InChIInChI=1S/C23H21ClN2O2/c1-3-28-23(27)22-17-11-10-15(12-19(17)26(2)20(22)13-25)16-8-4-6-14-7-5-9-18(24)21(14)16/h4-12H,3,13,25H2,1-2H3
InChIKeyDCHDAENPPPTMIO-UHFFFAOYSA-N
XLogP5.29
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-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 2-(aminomethyl)-6-(3,5-dimethylnaphthalen-1-yl)-1-methylindole-3-carboxylate
CID 170074905
ethyl 2-[(aminomethylideneamino)methyl]-1-methyl-6-(5-methylnaphthalen-1-yl)indole-3-carboxylate
CID 170077280
ethyl 2-[(aminomethylideneamino)methyl]-6-isoquinolin-8-yl-1-methylindole-3-carboxylate
CID 170077241
ethyl 2-(bromomethyl)-1-methyl-6-naphthalen-2-ylindole-3-carboxylate
CID 177268383
ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
CID 163883095
ethyl 2-[(aminomethylideneamino)methyl]-6-(3-fluoronaphthalen-1-yl)-1-methylindole-3-carboxylate
CID 170077353
ethyl 2-(aminomethyl)-6-(cyclopenten-1-yl)-1-methyl-5-naphthalen-1-ylindole-3-carboxylate
CID 170076574
ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate
CID 170078093
triethyl pyrene-1,2,3-tricarboxylate
CID 10093467
ethyl 6-(cyclohexen-1-yl)-2-[(diaminomethylideneamino)methyl]-1-methylindole-3-carboxylate
CID 163985158
ethyl 6-chloroimidazo[1,2-a]quinoline-2-carboxylate
CID 12763984
ethyl 2-(aminomethyl)-5-naphthalen-1-yl-1-benzothiophene-3-carboxylate
CID 170076122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate (CID 170075614) is ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate is CCOC(=O)c1c(CN)n(C)c2cc(-c3cccc4cccc(Cl)c34)ccc12.
What is the InChIKey of ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate?
The InChIKey is DCHDAENPPPTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-3-28-23(27)22-17-11-10-15(12-19(17)26(2)20(22)13-25)16-8-4-6-14-7-5-9-18(24)21(14)16/h4-12H,3,13,25H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate?
ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate has a molecular weight of 392.89 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-(8-chloronaphthalen-1-yl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 170075614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).