(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate

C17H14N2O5 — CID 51114624

IUPAC(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
SMILESCOc1ccccc1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O5/c1-23-13-8-4-5-9-14(13)24-15(20)10-19-16(21)11-6-2-3-7-12(11)18-17(19)22/h2-9H,10H2,1H3,(H,18,22)
InChIKeyGZCIXOREKSUNFO-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.30
Rot. Bonds4

About (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate

(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate (PubChem CID 51114624) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
PubChem CID51114624
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
SMILESCOc1ccccc1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14N2O5/c1-23-13-8-4-5-9-14(13)24-15(20)10-19-16(21)11-6-2-3-7-12(11)18-17(19)22/h2-9H,10H2,1H3,(H,18,22)
InChIKeyGZCIXOREKSUNFO-UHFFFAOYSA-N
XLogP1.30
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]oxyethyl-diethyl-methylazanium iodide
CID 18527687
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
N-(5-cyano-2-methoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 49181940
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 125431694
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 128962659
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
2-amino-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 142647674

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate (CID 51114624) is (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate is COc1ccccc1OC(=O)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate?
The InChIKey is GZCIXOREKSUNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-13-8-4-5-9-14(13)24-15(20)10-19-16(21)11-6-2-3-7-12(11)18-17(19)22/h2-9H,10H2,1H3,(H,18,22).
What are the key properties of (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate?
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate has a molecular weight of 326.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate is sourced from PubChem (CID 51114624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).