2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one

C18H12N4O2 — CID 168553040

IUPAC2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc12
InChIInChI=1S/C18H12N4O2/c23-18-14-3-1-2-4-15(14)21-17(22-18)12-5-7-13(8-6-12)24-16-11-19-9-10-20-16/h1-11H,(H,21,22,23)
InChIKeyUWWMGBQQOCFIIC-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.17
Rot. Bonds3

About 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one

2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one (PubChem CID 168553040) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one
PubChem CID168553040
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc12
InChIInChI=1S/C18H12N4O2/c23-18-14-3-1-2-4-15(14)21-17(22-18)12-5-7-13(8-6-12)24-16-11-19-9-10-20-16/h1-11H,(H,21,22,23)
InChIKeyUWWMGBQQOCFIIC-UHFFFAOYSA-N
XLogP3.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-(4-phenylphenoxy)pyrazine
CID 518373
6-phenoxy-2-phenyl-3H-quinazolin-4-one
CID 166196696
2-(4-pyrimidin-4-ylphenyl)-3H-quinazolin-4-one
CID 168552833
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
4-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanenitrile
CID 168552456
2-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-3H-quinazolin-4-one
CID 137045271
2-(4-pyrazin-2-yloxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 75391013
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-pyrazin-2-yloxyphenoxy)pyrazine
CID 101444877

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one (CID 168553040) is 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(Oc3cnccn3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one?
The InChIKey is UWWMGBQQOCFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-18-14-3-1-2-4-15(14)21-17(22-18)12-5-7-13(8-6-12)24-16-11-19-9-10-20-16/h1-11H,(H,21,22,23).
What are the key properties of 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one?
2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one has a molecular weight of 316.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).