2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide

C20H20FN3O3 — CID 6502338

IUPAC2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21
InChIInChI=1S/C20H20FN3O3/c1-13(2)22-18(25)12-23-17-6-4-3-5-16(17)19(26)24(20(23)27)11-14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyKPQSEICAJJYJLV-UHFFFAOYSA-N
MW369.40 g/mol
LogP1.88
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide

2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide (PubChem CID 6502338) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
PubChem CID6502338
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21
InChIInChI=1S/C20H20FN3O3/c1-13(2)22-18(25)12-23-17-6-4-3-5-16(17)19(26)24(20(23)27)11-14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyKPQSEICAJJYJLV-UHFFFAOYSA-N
XLogP1.88
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
N-(3-chloro-2-methylphenyl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46860994
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
2-[6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxopyrazolo[4,3-d]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 20974676
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
N-butan-2-yl-2-[3-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46925312
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861044
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 45030594

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide (CID 6502338) is 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ccccc21.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KPQSEICAJJYJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13(2)22-18(25)12-23-17-6-4-3-5-16(17)19(26)24(20(23)27)11-14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide?
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 369.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 6502338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).