methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate

C15H14N2O2 — CID 90202408

IUPACmethyl 5-ethylpyrido[3,2-b]indole-2-carboxylate
SMILESCCn1c2ccccc2c2nc(C(=O)OC)ccc21
InChIInChI=1S/C15H14N2O2/c1-3-17-12-7-5-4-6-10(12)14-13(17)9-8-11(16-14)15(18)19-2/h4-9H,3H2,1-2H3
InChIKeyKUQKMCQSDUDHMJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.00
Rot. Bonds2

About methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate

methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate (PubChem CID 90202408) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethylpyrido[3,2-b]indole-2-carboxylate
PubChem CID90202408
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 5-ethylpyrido[3,2-b]indole-2-carboxylate
SMILESCCn1c2ccccc2c2nc(C(=O)OC)ccc21
InChIInChI=1S/C15H14N2O2/c1-3-17-12-7-5-4-6-10(12)14-13(17)9-8-11(16-14)15(18)19-2/h4-9H,3H2,1-2H3
InChIKeyKUQKMCQSDUDHMJ-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-ethylpyrido[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

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate?
The IUPAC name of methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate (CID 90202408) is methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate.
What is the SMILES notation for methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate?
The canonical SMILES for methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate is CCn1c2ccccc2c2nc(C(=O)OC)ccc21.
What is the InChIKey of methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate?
The InChIKey is KUQKMCQSDUDHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-17-12-7-5-4-6-10(12)14-13(17)9-8-11(16-14)15(18)19-2/h4-9H,3H2,1-2H3.
What are the key properties of methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate?
methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylpyrido[3,2-b]indole-2-carboxylate is sourced from PubChem (CID 90202408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).