6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C22H22N4O6 — CID 54579673

IUPAC6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc(OC)c(C(=O)Cn2c(=O)n3nc(C)nc3c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C22H22N4O6/c1-12-23-21-14-9-19(31-4)20(32-5)10-16(14)25(22(28)26(21)24-12)11-17(27)15-8-13(29-2)6-7-18(15)30-3/h6-10H,11H2,1-5H3
InChIKeyVNLZVEXAULLODT-UHFFFAOYSA-N
MW438.44 g/mol
LogP2.27
Rot. Bonds7

About 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 54579673) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID54579673
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Name6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1ccc(OC)c(C(=O)Cn2c(=O)n3nc(C)nc3c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C22H22N4O6/c1-12-23-21-14-9-19(31-4)20(32-5)10-16(14)25(22(28)26(21)24-12)11-17(27)15-8-13(29-2)6-7-18(15)30-3/h6-10H,11H2,1-5H3
InChIKeyVNLZVEXAULLODT-UHFFFAOYSA-N
XLogP2.27
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
7-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 18195122
6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 53030629
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596
1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794557
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
6-[2-(3-chlorophenyl)-2-oxoethyl]-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 53093454
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 7628154
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione
CID 22429920
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 54579673) is 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1ccc(OC)c(C(=O)Cn2c(=O)n3nc(C)nc3c3cc(OC)c(OC)cc32)c1.
What is the InChIKey of 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is VNLZVEXAULLODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-12-23-21-14-9-19(31-4)20(32-5)10-16(14)25(22(28)26(21)24-12)11-17(27)15-8-13(29-2)6-7-18(15)30-3/h6-10H,11H2,1-5H3.
What are the key properties of 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 438.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 54579673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).