6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

C17H13N5O3 — CID 39820468

IUPAC6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2ncn(Cc3nc(-c4ccccn4)no3)c(=O)c2c1
InChIInChI=1S/C17H13N5O3/c1-24-11-5-6-13-12(8-11)17(23)22(10-19-13)9-15-20-16(21-25-15)14-4-2-3-7-18-14/h2-8,10H,9H2,1H3
InChIKeyUEZKGWAVAVIWJK-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.90
Rot. Bonds4

About 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one

6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (PubChem CID 39820468) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
PubChem CID39820468
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2ncn(Cc3nc(-c4ccccn4)no3)c(=O)c2c1
InChIInChI=1S/C17H13N5O3/c1-24-11-5-6-13-12(8-11)17(23)22(10-19-13)9-15-20-16(21-25-15)14-4-2-3-7-18-14/h2-8,10H,9H2,1H3
InChIKeyUEZKGWAVAVIWJK-UHFFFAOYSA-N
XLogP1.90
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-ethyl-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 18203193
6,8-dichloro-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 30759999
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
5-[[4-(4-methoxyphenyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 20967064
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
6-bromo-3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 60592961
1-(4-methoxyphenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 50838371
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
6-(4-methoxyphenyl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 55424324
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one (CID 39820468) is 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is COc1ccc2ncn(Cc3nc(-c4ccccn4)no3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
The InChIKey is UEZKGWAVAVIWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-24-11-5-6-13-12(8-11)17(23)22(10-19-13)9-15-20-16(21-25-15)14-4-2-3-7-18-14/h2-8,10H,9H2,1H3.
What are the key properties of 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one?
6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one has a molecular weight of 335.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 39820468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).