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

C20H15N3O2 — CID 5049702

IUPAC3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one
SMILESCOc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-10-8-15(9-11-16)23-19(14-5-4-12-21-13-14)22-18-7-3-2-6-17(18)20(23)24/h2-13H,1H3
InChIKeyYZWLCEKFESZIAK-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.46
Rot. Bonds3

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

3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one (PubChem CID 5049702) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one
PubChem CID5049702
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one
SMILESCOc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H15N3O2/c1-25-16-10-8-15(9-11-16)23-19(14-5-4-12-21-13-14)22-18-7-3-2-6-17(18)20(23)24/h2-13H,1H3
InChIKeyYZWLCEKFESZIAK-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one (CID 5049702) is 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one is COc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one?
The InChIKey is YZWLCEKFESZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-16-10-8-15(9-11-16)23-19(14-5-4-12-21-13-14)22-18-7-3-2-6-17(18)20(23)24/h2-13H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one?
3-(4-methoxyphenyl)-2-pyridin-3-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 3-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 5049702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).