2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide

C22H25N3O4 — CID 71954955

IUPAC2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H25N3O4/c1-14-8-9-19-17(12-14)21(27)25(18-7-5-6-15(2)16(18)3)22(28)24(19)13-20(26)23-10-11-29-4/h5-9,12H,10-11,13H2,1-4H3,(H,23,26)
InChIKeyBKABWPRRZKHULX-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.84
Rot. Bonds6

About 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 71954955) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID71954955
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2cc(C)ccc21
InChIInChI=1S/C22H25N3O4/c1-14-8-9-19-17(12-14)21(27)25(18-7-5-6-15(2)16(18)3)22(28)24(19)13-20(26)23-10-11-29-4/h5-9,12H,10-11,13H2,1-4H3,(H,23,26)
InChIKeyBKABWPRRZKHULX-UHFFFAOYSA-N
XLogP1.84
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762570
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71959422
2-[3-(2-chlorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 71956406
N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71956343
2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762552
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)acetamide
CID 82064697
N-(2-methoxyethyl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768430
2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 50926569
N-[(2-chlorophenyl)methyl]-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926510
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
CID 71956020
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 22429491

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide (CID 71954955) is 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2C)c(=O)c2cc(C)ccc21.
What is the InChIKey of 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is BKABWPRRZKHULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-8-9-19-17(12-14)21(27)25(18-7-5-6-15(2)16(18)3)22(28)24(19)13-20(26)23-10-11-29-4/h5-9,12H,10-11,13H2,1-4H3,(H,23,26).
What are the key properties of 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 71954955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).