N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide

C23H27N3O3 — CID 46860920

IUPACN-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
SMILESCCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O
InChIInChI=1S/C23H27N3O3/c1-4-5-8-14-25-22(28)18-12-6-7-13-19(18)26(23(25)29)15-20(27)24-21-16(2)10-9-11-17(21)3/h6-7,9-13H,4-5,8,14-15H2,1-3H3,(H,24,27)
InChIKeyRFTQWZKLBKKLTE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.61
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide

N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide (PubChem CID 46860920) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
PubChem CID46860920
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
SMILESCCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O
InChIInChI=1S/C23H27N3O3/c1-4-5-8-14-25-22(28)18-12-6-7-13-19(18)26(23(25)29)15-20(27)24-21-16(2)10-9-11-17(21)3/h6-7,9-13H,4-5,8,14-15H2,1-3H3,(H,24,27)
InChIKeyRFTQWZKLBKKLTE-UHFFFAOYSA-N
XLogP3.61
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 46860909
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
CID 6502256
N-(2,6-dimethylphenyl)-2-[2,4-dioxo-3-[4-oxo-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazolin-1-yl]acetamide
CID 46247598
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 24792813
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 45030691
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 154581966
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide (CID 46860920) is N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide is CCCCCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide?
The InChIKey is RFTQWZKLBKKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-5-8-14-25-22(28)18-12-6-7-13-19(18)26(23(25)29)15-20(27)24-21-16(2)10-9-11-17(21)3/h6-7,9-13H,4-5,8,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide is sourced from PubChem (CID 46860920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).