methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate

C24H18FN3O5 — CID 15994277

IUPACmethyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21
InChIInChI=1S/C24H18FN3O5/c1-33-23(31)17-9-2-4-11-19(17)26-21(29)14-27-20-12-5-3-10-18(20)22(30)28(24(27)32)16-8-6-7-15(25)13-16/h2-13H,14H2,1H3,(H,26,29)
InChIKeyFPYDGCDWDWRQQA-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.72
Rot. Bonds5

About methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate

methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate (PubChem CID 15994277) has the molecular formula C24H18FN3O5 and a molecular weight of 447.42 g/mol. Its IUPAC name is methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
PubChem CID15994277
Molecular FormulaC24H18FN3O5
Molecular Weight447.42 g/mol
Exact Mass447.12
IUPAC Namemethyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21
InChIInChI=1S/C24H18FN3O5/c1-33-23(31)17-9-2-4-11-19(17)26-21(29)14-27-20-12-5-3-10-18(20)22(30)28(24(27)32)16-8-6-7-15(25)13-16/h2-13H,14H2,1H3,(H,26,29)
InChIKeyFPYDGCDWDWRQQA-UHFFFAOYSA-N
XLogP2.72
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
methyl 3-[2-(2-fluoroanilino)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250660
2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
CID 50763323
2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 30844892
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 17197944
methyl 4-[[2-[3-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 50763335
ethyl 2-[[2-[3-(3-fluoro-4-methylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate
CID 22428051

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate (CID 15994277) is methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21.
What is the InChIKey of methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
The InChIKey is FPYDGCDWDWRQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O5/c1-33-23(31)17-9-2-4-11-19(17)26-21(29)14-27-20-12-5-3-10-18(20)22(30)28(24(27)32)16-8-6-7-15(25)13-16/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate has a molecular weight of 447.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(3-fluorophenyl)-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 15994277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).