N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide

C24H20FN3O2 — CID 22330424

IUPACN-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(-c3ccccc3F)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C24H20FN3O2/c1-15-11-12-20(16(2)13-15)26-22(29)14-28-23(17-7-3-5-9-19(17)25)27-21-10-6-4-8-18(21)24(28)30/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyFVQYPUBPQRFBBI-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.46
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide

N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 22330424) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID22330424
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(-c3ccccc3F)nc3ccccc3c2=O)c(C)c1
InChIInChI=1S/C24H20FN3O2/c1-15-11-12-20(16(2)13-15)26-22(29)14-28-23(17-7-3-5-9-19(17)25)27-21-10-6-4-8-18(21)24(28)30/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyFVQYPUBPQRFBBI-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide (CID 22330424) is N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide is Cc1ccc(NC(=O)Cn2c(-c3ccccc3F)nc3ccccc3c2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is FVQYPUBPQRFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-15-11-12-20(16(2)13-15)26-22(29)14-28-23(17-7-3-5-9-19(17)25)27-21-10-6-4-8-18(21)24(28)30/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 22330424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).