2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide

C21H22FN3O3 — CID 46860909

IUPAC2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H22FN3O3/c1-2-3-6-13-24-20(27)17-7-4-5-8-18(17)25(21(24)28)14-19(26)23-16-11-9-15(22)10-12-16/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)
InChIKeyYZTZXXUSALMHJI-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.13
Rot. Bonds7

About 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide

2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 46860909) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID46860909
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H22FN3O3/c1-2-3-6-13-24-20(27)17-7-4-5-8-18(17)25(21(24)28)14-19(26)23-16-11-9-15(22)10-12-16/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26)
InChIKeyYZTZXXUSALMHJI-UHFFFAOYSA-N
XLogP3.13
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
2-[4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762709
N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956354
N-(4-butylphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030767
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502293
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide (CID 46860909) is 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide is CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is YZTZXXUSALMHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-2-3-6-13-24-20(27)17-7-4-5-8-18(17)25(21(24)28)14-19(26)23-16-11-9-15(22)10-12-16/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,26).
What are the key properties of 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide?
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 46860909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).