2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one

C20H15N3O2 — CID 829457

IUPAC2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2-c2ccncc2)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-8-6-14(7-9-16)19-22-18-5-3-2-4-17(18)20(24)23(19)15-10-12-21-13-11-15/h2-13H,1H3
InChIKeyGDXUZQBCEPREAE-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one

2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one (PubChem CID 829457) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
PubChem CID829457
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2-c2ccncc2)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-8-6-14(7-9-16)19-22-18-5-3-2-4-17(18)20(24)23(19)15-10-12-21-13-11-15/h2-13H,1H3
InChIKeyGDXUZQBCEPREAE-UHFFFAOYSA-N
XLogP3.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-[4-(2-methylphenoxy)phenyl]-2-phenylquinazolin-4-one
CID 71318579
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
4-methoxy-N-(4-oxo-2-pyridin-4-ylquinazolin-3-yl)benzamide
CID 23797785
3-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)quinazolin-4-one
CID 91398896
3-(4-butan-2-ylphenyl)-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24720134
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one (CID 829457) is 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one?
The InChIKey is GDXUZQBCEPREAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-16-8-6-14(7-9-16)19-22-18-5-3-2-4-17(18)20(24)23(19)15-10-12-21-13-11-15/h2-13H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one?
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one is sourced from PubChem (CID 829457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).