2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one

C22H19FN2O3 — CID 3452230

IUPAC2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2F)c(OC)c1
InChIInChI=1S/C22H19FN2O3/c1-27-14-11-12-16(20(13-14)28-2)21-24-18-9-5-3-7-15(18)22(26)25(21)19-10-6-4-8-17(19)23/h3-13,21,24H,1-2H3
InChIKeyDFIKORFSKDUDBB-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.61
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one

2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 3452230) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID3452230
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2F)c(OC)c1
InChIInChI=1S/C22H19FN2O3/c1-27-14-11-12-16(20(13-14)28-2)21-24-18-9-5-3-7-15(18)22(26)25(21)19-10-6-4-8-17(19)23/h3-13,21,24H,1-2H3
InChIKeyDFIKORFSKDUDBB-UHFFFAOYSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one (CID 3452230) is 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2F)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is DFIKORFSKDUDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-14-11-12-16(20(13-14)28-2)21-24-18-9-5-3-7-15(18)22(26)25(21)19-10-6-4-8-17(19)23/h3-13,21,24H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one?
2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 378.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3452230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).