2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide

C21H23N3O4 — CID 6502256

IUPAC2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C21H23N3O4/c1-15-8-3-5-10-17(15)22-19(25)14-24-18-11-6-4-9-16(18)20(26)23(21(24)27)12-7-13-28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,22,25)
InChIKeyBOLKXHVFQRBYGW-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.15
Rot. Bonds7

About 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide

2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 6502256) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID6502256
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C21H23N3O4/c1-15-8-3-5-10-17(15)22-19(25)14-24-18-11-6-4-9-16(18)20(26)23(21(24)27)12-7-13-28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,22,25)
InChIKeyBOLKXHVFQRBYGW-UHFFFAOYSA-N
XLogP2.15
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.15
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-chloro-4-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502262
N-(4-chloro-2-fluorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046805
N-(4-fluoro-3-methylphenyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502293
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
N-(2,6-dimethylphenyl)-2-(2,4-dioxo-3-pentylquinazolin-1-yl)acetamide
CID 46860920
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 45030686
2-(3-cyclopentyl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 6619229
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 51046709
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51046822

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide (CID 6502256) is 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide is COCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O.
What is the InChIKey of 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is BOLKXHVFQRBYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-8-3-5-10-17(15)22-19(25)14-24-18-11-6-4-9-16(18)20(26)23(21(24)27)12-7-13-28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 381.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 6502256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).