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

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

Launch Full Analysis

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).