2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C22H16N4O2 — CID 135623486

IUPAC2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(COc3ccccc3-c3ccccc3)nn12
InChIInChI=1S/C22H16N4O2/c27-22-23-18-12-6-4-11-17(18)21-24-20(25-26(21)22)14-28-19-13-7-5-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,27)
InChIKeyWULMFBSHKZJIIX-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.82
Rot. Bonds4

About 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135623486) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135623486
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESO=c1[nH]c2ccccc2c2nc(COc3ccccc3-c3ccccc3)nn12
InChIInChI=1S/C22H16N4O2/c27-22-23-18-12-6-4-11-17(18)21-24-20(25-26(21)22)14-28-19-13-7-5-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,27)
InChIKeyWULMFBSHKZJIIX-UHFFFAOYSA-N
XLogP3.82
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135518105
2-[(4,6-dimethylpyrimidin-2-yl)amino]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135882047
2-benzyl-6H-imidazo[1,2-c]quinazolin-5-one
CID 137310522
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
N'-[2-(2-phenylphenoxy)acetyl]-1H-indazole-3-carbohydrazide
CID 9076190
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446
acetic acid;5H-benzimidazolo[1,2-c]quinazolin-6-one;ethane
CID 136503539
4-bromo-2-[(2-phenylphenoxy)methyl]thiophene
CID 63458851
4-phenyl-9H-carbazole
CID 22990274
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
(5-oxo-6H-pyrazolo[1,5-c]quinazolin-2-yl)methyl 2-chloroacetate
CID 135735623
3-benzyl-7H-[1,2,4]triazino[4,3-c]quinazoline-4,6-dione
CID 135872932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135623486) is 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is O=c1[nH]c2ccccc2c2nc(COc3ccccc3-c3ccccc3)nn12.
What is the InChIKey of 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is WULMFBSHKZJIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-22-23-18-12-6-4-11-17(18)21-24-20(25-26(21)22)14-28-19-13-7-5-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,27).
What are the key properties of 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 368.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylphenoxy)methyl]-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135623486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).