1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone

C11H7ClN4O — CID 57399923

IUPAC1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone
SMILESCC(=O)n1nnc2c(Cl)c3ncccc3cc21
InChIInChI=1S/C11H7ClN4O/c1-6(17)16-8-5-7-3-2-4-13-10(7)9(12)11(8)14-15-16/h2-5H,1H3
InChIKeyRJYQLBSKDCOAQO-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.29
Rot. Bonds

About 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone

1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone (PubChem CID 57399923) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone
PubChem CID57399923
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone
SMILESCC(=O)n1nnc2c(Cl)c3ncccc3cc21
InChIInChI=1S/C11H7ClN4O/c1-6(17)16-8-5-7-3-2-4-13-10(7)9(12)11(8)14-15-16/h2-5H,1H3
InChIKeyRJYQLBSKDCOAQO-UHFFFAOYSA-N
XLogP2.29
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone?
The IUPAC name of 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone (CID 57399923) is 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone is CC(=O)n1nnc2c(Cl)c3ncccc3cc21.
What is the InChIKey of 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone?
The InChIKey is RJYQLBSKDCOAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c1-6(17)16-8-5-7-3-2-4-13-10(7)9(12)11(8)14-15-16/h2-5H,1H3.
What are the key properties of 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone?
1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone has a molecular weight of 246.66 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorotriazolo[4,5-g]quinolin-1-yl)ethanone is sourced from PubChem (CID 57399923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).