ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate

C17H20N4O4 — CID 146001120

IUPACethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
SMILESCCOC(=O)c1cn(CC)c2c(cc(OCC)c3c2nnn3C)c1=O
InChIInChI=1S/C17H20N4O4/c1-5-21-9-11(17(23)25-7-3)16(22)10-8-12(24-6-2)15-13(14(10)21)18-19-20(15)4/h8-9H,5-7H2,1-4H3
InChIKeyNTSGHIDXCUPPHC-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.88
Rot. Bonds5

About ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate

ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate (PubChem CID 146001120) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
PubChem CID146001120
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Nameethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate
SMILESCCOC(=O)c1cn(CC)c2c(cc(OCC)c3c2nnn3C)c1=O
InChIInChI=1S/C17H20N4O4/c1-5-21-9-11(17(23)25-7-3)16(22)10-8-12(24-6-2)15-13(14(10)21)18-19-20(15)4/h8-9H,5-7H2,1-4H3
InChIKeyNTSGHIDXCUPPHC-UHFFFAOYSA-N
XLogP1.88
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate?
The IUPAC name of ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate (CID 146001120) is ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate is CCOC(=O)c1cn(CC)c2c(cc(OCC)c3c2nnn3C)c1=O.
What is the InChIKey of ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate?
The InChIKey is NTSGHIDXCUPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-5-21-9-11(17(23)25-7-3)16(22)10-8-12(24-6-2)15-13(14(10)21)18-19-20(15)4/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate?
ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-9-ethyl-3-methyl-6-oxotriazolo[4,5-h]quinoline-7-carboxylate is sourced from PubChem (CID 146001120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).