1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone

C18H16N4O — CID 11551241

IUPAC1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone
SMILESCC(=O)N1C(c2ccc(C)cc2)N=C2c3ccccc3N=CN21
InChIInChI=1S/C18H16N4O/c1-12-7-9-14(10-8-12)17-20-18-15-5-3-4-6-16(15)19-11-21(18)22(17)13(2)23/h3-11,17H,1-2H3
InChIKeyICBIPDUKHBWEBY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.19
Rot. Bonds1

About 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone

1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone (PubChem CID 11551241) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone
PubChem CID11551241
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone
SMILESCC(=O)N1C(c2ccc(C)cc2)N=C2c3ccccc3N=CN21
InChIInChI=1S/C18H16N4O/c1-12-7-9-14(10-8-12)17-20-18-15-5-3-4-6-16(15)19-11-21(18)22(17)13(2)23/h3-11,17H,1-2H3
InChIKeyICBIPDUKHBWEBY-UHFFFAOYSA-N
XLogP3.19
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone (CID 11551241) is 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone is CC(=O)N1C(c2ccc(C)cc2)N=C2c3ccccc3N=CN21.
What is the InChIKey of 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone?
The InChIKey is ICBIPDUKHBWEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-7-9-14(10-8-12)17-20-18-15-5-3-4-6-16(15)19-11-21(18)22(17)13(2)23/h3-11,17H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone?
1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone has a molecular weight of 304.35 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-2H-[1,2,4]triazolo[1,5-c]quinazolin-3-yl]ethanone is sourced from PubChem (CID 11551241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).