2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide

C24H20FN3O3 — CID 50763161

IUPAC2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C24H20FN3O3/c1-26-22(29)14-16-9-11-19(12-10-16)28-23(30)20-7-2-3-8-21(20)27(24(28)31)15-17-5-4-6-18(25)13-17/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyREEOSEKQQKMUDP-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.63
Rot. Bonds5

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

2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide (PubChem CID 50763161) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
PubChem CID50763161
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C24H20FN3O3/c1-26-22(29)14-16-9-11-19(12-10-16)28-23(30)20-7-2-3-8-21(20)27(24(28)31)15-17-5-4-6-18(25)13-17/h2-13H,14-15H2,1H3,(H,26,29)
InChIKeyREEOSEKQQKMUDP-UHFFFAOYSA-N
XLogP2.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 50762613
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
CID 27371130
N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459
2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 30844892
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522
3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione
CID 22423456
methyl 4-[[2-[3-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 50763335

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide (CID 50763161) is 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc1.
What is the InChIKey of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The InChIKey is REEOSEKQQKMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-26-22(29)14-16-9-11-19(12-10-16)28-23(30)20-7-2-3-8-21(20)27(24(28)31)15-17-5-4-6-18(25)13-17/h2-13H,14-15H2,1H3,(H,26,29).
What are the key properties of 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide has a molecular weight of 417.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 50763161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).