7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde

C14H13N3O3 — CID 43817922

IUPAC7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
SMILESCCOc1ccc2c(c1)cc(C=O)c1nn(C)c(=O)n12
InChIInChI=1S/C14H13N3O3/c1-3-20-11-4-5-12-9(7-11)6-10(8-18)13-15-16(2)14(19)17(12)13/h4-8H,3H2,1-2H3
InChIKeyWVFVXFVRZZFUPD-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.40
Rot. Bonds3

About 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde

7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde (PubChem CID 43817922) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
PubChem CID43817922
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
SMILESCCOc1ccc2c(c1)cc(C=O)c1nn(C)c(=O)n12
InChIInChI=1S/C14H13N3O3/c1-3-20-11-4-5-12-9(7-11)6-10(8-18)13-15-16(2)14(19)17(12)13/h4-8H,3H2,1-2H3
InChIKeyWVFVXFVRZZFUPD-UHFFFAOYSA-N
XLogP1.40
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
The IUPAC name of 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde (CID 43817922) is 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
The canonical SMILES for 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde is CCOc1ccc2c(c1)cc(C=O)c1nn(C)c(=O)n12.
What is the InChIKey of 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
The InChIKey is WVFVXFVRZZFUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-3-20-11-4-5-12-9(7-11)6-10(8-18)13-15-16(2)14(19)17(12)13/h4-8H,3H2,1-2H3.
What are the key properties of 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde?
7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde has a molecular weight of 271.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 43817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).