ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate

C26H23FN2O4 — CID 153408397

IUPACethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate
SMILESCCOC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(F)cc32)cc1
InChIInChI=1S/C26H23FN2O4/c1-2-33-25(31)20-10-8-19(9-11-20)17-29-23-16-21(27)12-13-22(23)24(30)28(26(29)32)15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15,17H2,1H3
InChIKeyLWNACHNSEHOVGO-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.77
Rot. Bonds7

About ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate

ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate (PubChem CID 153408397) has the molecular formula C26H23FN2O4 and a molecular weight of 446.48 g/mol. Its IUPAC name is ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate
PubChem CID153408397
Molecular FormulaC26H23FN2O4
Molecular Weight446.48 g/mol
Exact Mass446.16
IUPAC Nameethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate
SMILESCCOC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(F)cc32)cc1
InChIInChI=1S/C26H23FN2O4/c1-2-33-25(31)20-10-8-19(9-11-20)17-29-23-16-21(27)12-13-22(23)24(30)28(26(29)32)15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15,17H2,1H3
InChIKeyLWNACHNSEHOVGO-UHFFFAOYSA-N
XLogP3.77
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate with MolForge

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Related Compounds

7-fluoro-3-(2-phenylethyl)-1-[[4-(2-phenylmethoxyacetyl)phenyl]methyl]quinazoline-2,4-dione
CID 163978298
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151543423
7-fluoro-3-[2-(4-fluorophenyl)ethyl]-1-[[4-[(E)-3-oxopent-1-enyl]phenyl]methyl]quinazoline-2,4-dione
CID 163995259
4-[[7-chloro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-phenylmethoxybenzamide
CID 153408409
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 150377119
4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 138377601
[[4-[[2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-1-yl]methyl]benzoyl]amino] acetate
CID 153408405
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] 2-amino-3-methylbutanoate
CID 154629217
[[4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoyl]amino] 2-amino-3-methylbutanoate;2,2,2-trifluoroacetic acid
CID 175692404
[1-[2-[4-[[2,4-dioxo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-1-yl]methyl]phenyl]-2-oxoethoxy]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 163654693
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
3-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]-1-[(4-propanoylphenyl)methyl]quinazoline-2,4-dione
CID 163775470

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate?
The IUPAC name of ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate (CID 153408397) is ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate?
The canonical SMILES for ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate is CCOC(=O)c1ccc(Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccc(F)cc32)cc1.
What is the InChIKey of ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate?
The InChIKey is LWNACHNSEHOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O4/c1-2-33-25(31)20-10-8-19(9-11-20)17-29-23-16-21(27)12-13-22(23)24(30)28(26(29)32)15-14-18-6-4-3-5-7-18/h3-13,16H,2,14-15,17H2,1H3.
What are the key properties of ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate?
ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate has a molecular weight of 446.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[7-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzoate is sourced from PubChem (CID 153408397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).