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

C20H15N3O — CID 743603

IUPAC2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1
InChIInChI=1S/C20H15N3O/c1-14-8-10-15(11-9-14)19-22-18-7-3-2-6-17(18)20(24)23(19)16-5-4-12-21-13-16/h2-13H,1H3
InChIKeyWDLCZNMICHPINJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.76
Rot. Bonds2

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

2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one (PubChem CID 743603) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one
PubChem CID743603
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1
InChIInChI=1S/C20H15N3O/c1-14-8-10-15(11-9-14)19-22-18-7-3-2-6-17(18)20(24)23(19)16-5-4-12-21-13-16/h2-13H,1H3
InChIKeyWDLCZNMICHPINJ-UHFFFAOYSA-N
XLogP3.76
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one (CID 743603) is 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one?
The InChIKey is WDLCZNMICHPINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-8-10-15(11-9-14)19-22-18-7-3-2-6-17(18)20(24)23(19)16-5-4-12-21-13-16/h2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one?
2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-pyridin-3-ylquinazolin-4-one is sourced from PubChem (CID 743603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).