2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide

C22H25N3O4 — CID 42811751

IUPAC2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2ccccc21
InChIInChI=1S/C22H25N3O4/c1-14-9-10-17(13-15(14)2)25-21(27)18-7-5-6-8-19(18)24(22(25)28)16(3)20(26)23-11-12-29-4/h5-10,13,16H,11-12H2,1-4H3,(H,23,26)
InChIKeyYPIMAPSUYDXCQW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.09
Rot. Bonds6

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

2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 42811751) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID42811751
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2ccccc21
InChIInChI=1S/C22H25N3O4/c1-14-9-10-17(13-15(14)2)25-21(27)18-7-5-6-8-19(18)24(22(25)28)16(3)20(26)23-11-12-29-4/h5-10,13,16H,11-12H2,1-4H3,(H,23,26)
InChIKeyYPIMAPSUYDXCQW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]propanamide
CID 71959512
(2R)-2-[7-chloro-3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 93302133
(2S)-2-[3-(3-chloro-4-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3,4-dimethoxyphenyl)propanamide
CID 93142963
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 46135503
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2693493
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 93142932
(2S)-2-[3-(2,3-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 93289048
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 24718369
2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
CID 27371130
2-[4-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762570
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95917137

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide (CID 42811751) is 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)n1c(=O)n(-c2ccc(C)c(C)c2)c(=O)c2ccccc21.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is YPIMAPSUYDXCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-9-10-17(13-15(14)2)25-21(27)18-7-5-6-8-19(18)24(22(25)28)16(3)20(26)23-11-12-29-4/h5-10,13,16H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42811751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).