diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate

C19H20N2O4 — CID 15309070

IUPACdiethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(CC)c2nc1C(=O)OCC
InChIInChI=1S/C19H20N2O4/c1-4-21-15-10-8-7-9-12(15)13-11-14(18(22)24-5-2)16(20-17(13)21)19(23)25-6-3/h7-11H,4-6H2,1-3H3
InChIKeyLFGFRMUDBZMAOD-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.56
Rot. Bonds5

About diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate

diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate (PubChem CID 15309070) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
PubChem CID15309070
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namediethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2c3ccccc3n(CC)c2nc1C(=O)OCC
InChIInChI=1S/C19H20N2O4/c1-4-21-15-10-8-7-9-12(15)13-11-14(18(22)24-5-2)16(20-17(13)21)19(23)25-6-3/h7-11H,4-6H2,1-3H3
InChIKeyLFGFRMUDBZMAOD-UHFFFAOYSA-N
XLogP3.56
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-9-ethylpyrido[2,3-b]indol-1-ium-3-carboxylate
CID 6952701
ethyl 9-benzyl-2-piperidin-1-ylpyrido[2,3-b]indole-3-carboxylate
CID 57229550
ethyl 1-ethyl-4-oxoquinoline-2-carboxylate
CID 13223148
2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide
CID 143530183
diethyl 1-hydroxy-2-phenylpyrrolo[3,2-b]pyridine-5,6-dicarboxylate
CID 19977730
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
CID 10848731
ethyl 9-(methoxymethyl)-1-methylpyrido[3,4-b]indole-3-carboxylate
CID 11001006
ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
tert-butyl-[2-[(3-carbamoyl-9-ethylpyrido[2,3-b]indol-2-yl)amino]ethyl]carbamic acid
CID 66676407
diethyl pyrido[2,3-b]indole-3,9-dicarboxylate
CID 11723020
ethyl 3-amino-5-methylpyrido[3,2-b]indole-2-carboxylate
CID 164562201
2-(3,5-dimethylphenyl)-9-ethylpyrido[2,3-b]indole
CID 140577781

Frequently Asked Questions

What is the IUPAC name of diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate?
The IUPAC name of diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate (CID 15309070) is diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate.
What is the SMILES notation for diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate?
The canonical SMILES for diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate is CCOC(=O)c1cc2c3ccccc3n(CC)c2nc1C(=O)OCC.
What is the InChIKey of diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate?
The InChIKey is LFGFRMUDBZMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-21-15-10-8-7-9-12(15)13-11-14(18(22)24-5-2)16(20-17(13)21)19(23)25-6-3/h7-11H,4-6H2,1-3H3.
What are the key properties of diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate?
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate is sourced from PubChem (CID 15309070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).