ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C22H20N2O3 — CID 122187126

IUPACethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3OC)c2cn1
InChIInChI=1S/C22H20N2O3/c1-3-27-22(25)18-12-17-16-9-5-6-10-19(16)24(20(17)13-23-18)14-15-8-4-7-11-21(15)26-2/h4-13H,3,14H2,1-2H3
InChIKeyVFXQOTDOALXXMG-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.42
Rot. Bonds5

About ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 122187126) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
PubChem CID122187126
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Nameethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3OC)c2cn1
InChIInChI=1S/C22H20N2O3/c1-3-27-22(25)18-12-17-16-9-5-6-10-19(16)24(20(17)13-23-18)14-15-8-4-7-11-21(15)26-2/h4-13H,3,14H2,1-2H3
InChIKeyVFXQOTDOALXXMG-UHFFFAOYSA-N
XLogP4.42
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 9-[(2-methoxyphenyl)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

CID 105078
CID 105078
CID 107704
CID 107704
CID 65914
CID 65914
CID 121926
CID 121926
CID 123662
CID 123662
CID 115210
CID 115210
CID 124514
CID 124514
CID 128618
CID 128618
CID 219095
CID 219095
CID 123700
CID 123700
CID 13037317
CID 13037317
CID 131889
CID 131889

Frequently Asked Questions

What is the IUPAC name of ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 122187126) is ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1cc2c3ccccc3n(Cc3ccccc3OC)c2cn1.
What is the InChIKey of ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is VFXQOTDOALXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-27-22(25)18-12-17-16-9-5-6-10-19(16)24(20(17)13-23-18)14-15-8-4-7-11-21(15)26-2/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?
ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-[(2-methoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 122187126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).