N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide

C17H14FN3O3 — CID 6502404

IUPACN-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H14FN3O3/c1-20-16(23)13-4-2-3-5-14(13)21(17(20)24)10-15(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXRJQVXLBCMZYHS-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.48
Rot. Bonds3

About N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide

N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 6502404) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID6502404
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H14FN3O3/c1-20-16(23)13-4-2-3-5-14(13)21(17(20)24)10-15(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXRJQVXLBCMZYHS-UHFFFAOYSA-N
XLogP1.48
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
N-(5-fluoro-2-methylphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502454
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
2-(3-methyl-2,4-dioxoquinazolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 2943669
2-[4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762709
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956354

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 6502404) is N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide is Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is XRJQVXLBCMZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-20-16(23)13-4-2-3-5-14(13)21(17(20)24)10-15(22)19-12-8-6-11(18)7-9-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 6502404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).