2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C21H17FN2O2 — CID 155803459

IUPAC2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)c(F)c1
InChIInChI=1S/C21H17FN2O2/c1-26-15-11-12-16(18(22)13-15)20-23-19-10-6-5-9-17(19)21(25)24(20)14-7-3-2-4-8-14/h2-13,20,23H,1H3
InChIKeyWZGAJRULBJYLNE-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.61
Rot. Bonds3

About 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 155803459) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID155803459
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)c(F)c1
InChIInChI=1S/C21H17FN2O2/c1-26-15-11-12-16(18(22)13-15)20-23-19-10-6-5-9-17(19)21(25)24(20)14-7-3-2-4-8-14/h2-13,20,23H,1H3
InChIKeyWZGAJRULBJYLNE-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 3846487
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 3452230
5-[(2S)-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 25349071
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
(2S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006434
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006450
3-(4-bromophenyl)-2-[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 19576429

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 155803459) is 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is WZGAJRULBJYLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-26-15-11-12-16(18(22)13-15)20-23-19-10-6-5-9-17(19)21(25)24(20)14-7-3-2-4-8-14/h2-13,20,23H,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 348.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 155803459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).