3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione

C17H16N2O4 — CID 56771696

IUPAC3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C17H16N2O4/c1-22-12-8-7-11(15(9-12)23-2)10-19-16(20)13-5-3-4-6-14(13)18-17(19)21/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyHROSXLPYIFXCML-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.76
Rot. Bonds4

About 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione

3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione (PubChem CID 56771696) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
PubChem CID56771696
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C17H16N2O4/c1-22-12-8-7-11(15(9-12)23-2)10-19-16(20)13-5-3-4-6-14(13)18-17(19)21/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyHROSXLPYIFXCML-UHFFFAOYSA-N
XLogP1.76
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-7-(hydroxymethyl)-1H-quinazoline-2,4-dione
CID 170981715
5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271
2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
CID 166635160
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
3-(furan-2-ylmethyl)-6-methoxy-1H-quinazoline-2,4-dione
CID 117261447
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 51114624
3-[(2,4-dimethoxyphenyl)methyl]-2-(4-methoxy-2,5-dimethylphenyl)quinazolin-4-one
CID 46084209
3-[4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 128962778
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
N-(2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4907918

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione (CID 56771696) is 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
The InChIKey is HROSXLPYIFXCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-12-8-7-11(15(9-12)23-2)10-19-16(20)13-5-3-4-6-14(13)18-17(19)21/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione?
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione has a molecular weight of 312.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 56771696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).