ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate

C15H15N3O2 — CID 164562201

IUPACethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
SMILESCCOC(=O)c1nc2c3ccccc3n(C)c2cc1N
InChIInChI=1S/C15H15N3O2/c1-3-20-15(19)14-10(16)8-12-13(17-14)9-6-4-5-7-11(9)18(12)2/h4-8H,3,16H2,1-2H3
InChIKeyQCTBCAXBGFHXHD-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.49
Rot. Bonds2

About ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate

ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate (PubChem CID 164562201) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
PubChem CID164562201
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Nameethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
SMILESCCOC(=O)c1nc2c3ccccc3n(C)c2cc1N
InChIInChI=1S/C15H15N3O2/c1-3-20-15(19)14-10(16)8-12-13(17-14)9-6-4-5-7-11(9)18(12)2/h4-8H,3,16H2,1-2H3
InChIKeyQCTBCAXBGFHXHD-UHFFFAOYSA-N
XLogP2.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-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 5-methylpyrazino[2,3-b]indole-3-carboxylate
CID 177421986
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 1-methoxy-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 13147294
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
CID 10848731
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 6-methylfuro[3,2-c]carbazole-2-carboxylate
CID 10661385
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156678798
ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
CID 24792645
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
CID 43841999
ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23826495

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate (CID 164562201) is ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate is CCOC(=O)c1nc2c3ccccc3n(C)c2cc1N.
What is the InChIKey of ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate?
The InChIKey is QCTBCAXBGFHXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-20-15(19)14-10(16)8-12-13(17-14)9-6-4-5-7-11(9)18(12)2/h4-8H,3,16H2,1-2H3.
What are the key properties of ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate?
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate is sourced from PubChem (CID 164562201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).