2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H16N4O2 — CID 2106553

IUPAC2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(COc1nnnc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C18H16N4O2/c23-17(22-11-5-7-13-6-1-4-10-16(13)22)12-24-18-14-8-2-3-9-15(14)19-21-20-18/h1-4,6,8-10H,5,7,11-12H2
InChIKeyDVZIPCOTDZSUJI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.38
Rot. Bonds3

About 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 2106553) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID2106553
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(COc1nnnc2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C18H16N4O2/c23-17(22-11-5-7-13-6-1-4-10-16(13)22)12-24-18-14-8-2-3-9-15(14)19-21-20-18/h1-4,6,8-10H,5,7,11-12H2
InChIKeyDVZIPCOTDZSUJI-UHFFFAOYSA-N
XLogP2.38
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 2106553) is 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(COc1nnnc2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is DVZIPCOTDZSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(22-11-5-7-13-6-1-4-10-16(13)22)12-24-18-14-8-2-3-9-15(14)19-21-20-18/h1-4,6,8-10H,5,7,11-12H2.
What are the key properties of 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 320.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3-benzotriazin-4-yloxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 2106553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).