2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C18H18FN3O2 — CID 47025358

IUPAC2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-20-16(23)11-22-15-6-4-3-5-14(15)18(24)21(2)17(22)12-7-9-13(19)10-8-12/h3-10,17H,11H2,1-2H3,(H,20,23)
InChIKeyCGYDVOYLLDLSIE-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 47025358) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID47025358
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2/c1-20-16(23)11-22-15-6-4-3-5-14(15)18(24)21(2)17(22)12-7-9-13(19)10-8-12/h3-10,17H,11H2,1-2H3,(H,20,23)
InChIKeyCGYDVOYLLDLSIE-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 47025358) is 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is CGYDVOYLLDLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-20-16(23)11-22-15-6-4-3-5-14(15)18(24)21(2)17(22)12-7-9-13(19)10-8-12/h3-10,17H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 327.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 47025358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).