2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone

C14H9ClN4O2 — CID 163210326

IUPAC2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone
SMILESO=C(COc1ccnc2cc(Cl)ccc12)c1nccnn1
InChIInChI=1S/C14H9ClN4O2/c15-9-1-2-10-11(7-9)16-4-3-13(10)21-8-12(20)14-17-5-6-18-19-14/h1-7H,8H2
InChIKeyMNGKBLUAAGHAEQ-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.33
Rot. Bonds4

About 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone

2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone (PubChem CID 163210326) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone.

Molecular Properties

Compound Name2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone
PubChem CID163210326
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone
SMILESO=C(COc1ccnc2cc(Cl)ccc12)c1nccnn1
InChIInChI=1S/C14H9ClN4O2/c15-9-1-2-10-11(7-9)16-4-3-13(10)21-8-12(20)14-17-5-6-18-19-14/h1-7H,8H2
InChIKeyMNGKBLUAAGHAEQ-UHFFFAOYSA-N
XLogP2.33
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone?
The IUPAC name of 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone (CID 163210326) is 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone.
What is the SMILES notation for 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone?
The canonical SMILES for 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone is O=C(COc1ccnc2cc(Cl)ccc12)c1nccnn1.
What is the InChIKey of 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone?
The InChIKey is MNGKBLUAAGHAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-9-1-2-10-11(7-9)16-4-3-13(10)21-8-12(20)14-17-5-6-18-19-14/h1-7H,8H2.
What are the key properties of 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone?
2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone has a molecular weight of 300.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone is sourced from PubChem (CID 163210326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).