2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one

C18H12N4O — CID 168553073

IUPAC2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(-c3ncccn3)c2)nc2ccccc12
InChIInChI=1S/C18H12N4O/c23-18-14-7-1-2-8-15(14)21-17(22-18)13-6-3-5-12(11-13)16-19-9-4-10-20-16/h1-11H,(H,21,22,23)
InChIKeyGRIRKBUAGHINHW-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.05
Rot. Bonds2

About 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one

2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one (PubChem CID 168553073) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
PubChem CID168553073
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(-c3ncccn3)c2)nc2ccccc12
InChIInChI=1S/C18H12N4O/c23-18-14-7-1-2-8-15(14)21-17(22-18)13-6-3-5-12(11-13)16-19-9-4-10-20-16/h1-11H,(H,21,22,23)
InChIKeyGRIRKBUAGHINHW-UHFFFAOYSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
CID 168552454
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
CID 168550950
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-[3-(2-methylpropylsulfanyl)phenyl]-3H-quinazolin-4-one
CID 168551121

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one (CID 168553073) is 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc(-c3ncccn3)c2)nc2ccccc12.
What is the InChIKey of 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one?
The InChIKey is GRIRKBUAGHINHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c23-18-14-7-1-2-8-15(14)21-17(22-18)13-6-3-5-12(11-13)16-19-9-4-10-20-16/h1-11H,(H,21,22,23).
What are the key properties of 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one?
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168553073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).