2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one

C21H15FN2O — CID 168552454

IUPAC2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
SMILESCc1ccc(F)cc1-c1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H15FN2O/c1-13-9-10-16(22)12-18(13)14-5-4-6-15(11-14)20-23-19-8-3-2-7-17(19)21(25)24-20/h2-12H,1H3,(H,23,24,25)
InChIKeyWBEFCEKPCHPTNA-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.70
Rot. Bonds2

About 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one

2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168552454) has the molecular formula C21H15FN2O and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
PubChem CID168552454
Molecular FormulaC21H15FN2O
Molecular Weight330.36 g/mol
Exact Mass330.12
IUPAC Name2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one
SMILESCc1ccc(F)cc1-c1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H15FN2O/c1-13-9-10-16(22)12-18(13)14-5-4-6-15(11-14)20-23-19-8-3-2-7-17(19)21(25)24-20/h2-12H,1H3,(H,23,24,25)
InChIKeyWBEFCEKPCHPTNA-UHFFFAOYSA-N
XLogP4.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-(3-fluoro-5-methoxyphenyl)-3H-quinazolin-4-one
CID 168550809
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
methyl 3-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]benzoate
CID 168552709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one (CID 168552454) is 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one is Cc1ccc(F)cc1-c1cccc(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is WBEFCEKPCHPTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O/c1-13-9-10-16(22)12-18(13)14-5-4-6-15(11-14)20-23-19-8-3-2-7-17(19)21(25)24-20/h2-12H,1H3,(H,23,24,25).
What are the key properties of 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one?
2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 330.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2-methylphenyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).