2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide

C25H21N5O4 — CID 15988388

IUPAC2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide
SMILESCOc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n1nc(-c3ccccc3)nc21
InChIInChI=1S/C25H21N5O4/c1-33-20-13-18-19(14-21(20)34-2)29(15-22(31)26-17-11-7-4-8-12-17)25(32)30-24(18)27-23(28-30)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,26,31)
InChIKeyOLWSSQDRTDQXPY-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.37
Rot. Bonds6

About 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide

2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide (PubChem CID 15988388) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide
PubChem CID15988388
Molecular FormulaC25H21N5O4
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC Name2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide
SMILESCOc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n1nc(-c3ccccc3)nc21
InChIInChI=1S/C25H21N5O4/c1-33-20-13-18-19(14-21(20)34-2)29(15-22(31)26-17-11-7-4-8-12-17)25(32)30-24(18)27-23(28-30)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,26,31)
InChIKeyOLWSSQDRTDQXPY-UHFFFAOYSA-N
XLogP3.37
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]propyl-diethyl-amine
CID 6622924
2-[(8,9-Dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)amino]ethyl-diethyl-amine
CID 9550178
8,9-dimethoxy-N-(3-methoxypropyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010874
N-(2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
CID 5309264
N-benzyl-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010850
N-[2-(3,4-dimethoxyphenyl)ethyl]-8,9-dimethoxy-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010868
8,9-dimethoxy-N-(3-methylbutyl)-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010872
8,9-dimethoxy-N-[(4-methylphenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010876
8,9-dimethoxy-N-[2-(3-methylphenyl)ethyl]-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010879
8,9-dimethoxy-2-phenyl-N-(2-phenylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010881
1-(2,3-Dimethoxyphenyl)-4-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16017237
N-[(3-methoxyphenyl)methyl]-2-[2-(3-methylphenyl)-5-oxo-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetamide
CID 16032966

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide?
The IUPAC name of 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide (CID 15988388) is 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide?
The canonical SMILES for 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide is COc1cc2c(cc1OC)n(CC(=O)Nc1ccccc1)c(=O)n1nc(-c3ccccc3)nc21.
What is the InChIKey of 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide?
The InChIKey is OLWSSQDRTDQXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4/c1-33-20-13-18-19(14-21(20)34-2)29(15-22(31)26-17-11-7-4-8-12-17)25(32)30-24(18)27-23(28-30)16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,26,31).
What are the key properties of 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide?
2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide has a molecular weight of 455.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethoxy-5-oxo-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 15988388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).