2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C22H18BrN5O2 — CID 53331023

IUPAC2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C22H18BrN5O2/c23-17-9-7-15(8-10-17)18-12-20-22(30)27(24-14-28(20)25-18)13-21(29)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12,14H,3,5,11,13H2
InChIKeyULGLULZPMMUNSK-UHFFFAOYSA-N
MW464.32 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 53331023) has the molecular formula C22H18BrN5O2 and a molecular weight of 464.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID53331023
Molecular FormulaC22H18BrN5O2
Molecular Weight464.32 g/mol
Exact Mass463.06
IUPAC Name2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C22H18BrN5O2/c23-17-9-7-15(8-10-17)18-12-20-22(30)27(24-14-28(20)25-18)13-21(29)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12,14H,3,5,11,13H2
InChIKeyULGLULZPMMUNSK-UHFFFAOYSA-N
XLogP3.30
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
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5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
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CID 7747963
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2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-10-methyl-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 1435083
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 53331023) is 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is ULGLULZPMMUNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2/c23-17-9-7-15(8-10-17)18-12-20-22(30)27(24-14-28(20)25-18)13-21(29)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12,14H,3,5,11,13H2.
What are the key properties of 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 464.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 53331023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).