methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate

C18H16N2O4 — CID 154831058

IUPACmethyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C18H16N2O4/c1-24-16(21)12-19-15-10-6-5-9-14(15)17(22)20(18(19)23)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyCXZIWFPJPBZFBD-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate

methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate (PubChem CID 154831058) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
PubChem CID154831058
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namemethyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
SMILESCOC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C18H16N2O4/c1-24-16(21)12-19-15-10-6-5-9-14(15)17(22)20(18(19)23)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyCXZIWFPJPBZFBD-UHFFFAOYSA-N
XLogP1.38
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
methyl 2-(3-benzyl-2,4-dioxopteridin-1-yl)acetate
CID 95917303
methyl 2-carbazol-9-ylacetate
CID 3745219
(2S)-2-amino-3-(3-benzyl-2,4-dioxoquinazolin-1-yl)propanoic acid
CID 25130239
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
3-benzyl-1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]quinazoline-2,4-dione
CID 155322949
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate?
The IUPAC name of methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate (CID 154831058) is methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate is COC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate?
The InChIKey is CXZIWFPJPBZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-16(21)12-19-15-10-6-5-9-14(15)17(22)20(18(19)23)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate?
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate has a molecular weight of 324.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate is sourced from PubChem (CID 154831058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).