methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate

C15H14N2O2 — CID 23112872

IUPACmethyl 9-ethylpyrido[3,4-b]indole-3-carboxylate
SMILESCCn1c2ccccc2c2cc(C(=O)OC)ncc21
InChIInChI=1S/C15H14N2O2/c1-3-17-13-7-5-4-6-10(13)11-8-12(15(18)19-2)16-9-14(11)17/h4-9H,3H2,1-2H3
InChIKeyYSDRHPGHGTURSH-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.00
Rot. Bonds2

About methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate

methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate (PubChem CID 23112872) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-ethylpyrido[3,4-b]indole-3-carboxylate
PubChem CID23112872
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 9-ethylpyrido[3,4-b]indole-3-carboxylate
SMILESCCn1c2ccccc2c2cc(C(=O)OC)ncc21
InChIInChI=1S/C15H14N2O2/c1-3-17-13-7-5-4-6-10(13)11-8-12(15(18)19-2)16-9-14(11)17/h4-9H,3H2,1-2H3
InChIKeyYSDRHPGHGTURSH-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

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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
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
Indocate
CID 65776
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
Amindocate
CID 178144
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
Methyl 5-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]pyridine-2-carboxylate
CID 44143525

Frequently Asked Questions

What is the IUPAC name of methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate (CID 23112872) is methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate is CCn1c2ccccc2c2cc(C(=O)OC)ncc21.
What is the InChIKey of methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate?
The InChIKey is YSDRHPGHGTURSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-17-13-7-5-4-6-10(13)11-8-12(15(18)19-2)16-9-14(11)17/h4-9H,3H2,1-2H3.
What are the key properties of methyl 9-ethylpyrido[3,4-b]indole-3-carboxylate?
methyl 9-ethylpyrido[3,4-b]indole-3-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 9-ethylpyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 23112872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).