ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

C19H16N4O3 — CID 13191646

IUPACethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc2c3ccccc3n(Cc3ccccc3)c(=O)n2n1
InChIInChI=1S/C19H16N4O3/c1-2-26-18(24)16-20-17-14-10-6-7-11-15(14)22(19(25)23(17)21-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyXDJQXLMCDUSCBN-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.27
Rot. Bonds4

About ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate

ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate (PubChem CID 13191646) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
PubChem CID13191646
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Nameethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc2c3ccccc3n(Cc3ccccc3)c(=O)n2n1
InChIInChI=1S/C19H16N4O3/c1-2-26-18(24)16-20-17-14-10-6-7-11-15(14)22(19(25)23(17)21-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyXDJQXLMCDUSCBN-UHFFFAOYSA-N
XLogP2.27
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The IUPAC name of ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate (CID 13191646) is ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The canonical SMILES for ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate is CCOC(=O)c1nc2c3ccccc3n(Cc3ccccc3)c(=O)n2n1.
What is the InChIKey of ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
The InChIKey is XDJQXLMCDUSCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-26-18(24)16-20-17-14-10-6-7-11-15(14)22(19(25)23(17)21-16)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate?
ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate is sourced from PubChem (CID 13191646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).