2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide

C27H27N3O3 — CID 51046638

IUPAC2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C27H27N3O3/c31-25(28-18-9-14-21-10-3-1-4-11-21)20-30-24-16-8-7-15-23(24)26(32)29(27(30)33)19-17-22-12-5-2-6-13-22/h1-8,10-13,15-16H,9,14,17-20H2,(H,28,31)
InChIKeyCCQYMLXEKZKPMW-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.15
Rot. Bonds9

About 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide

2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 51046638) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID51046638
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCCCc1ccccc1
InChIInChI=1S/C27H27N3O3/c31-25(28-18-9-14-21-10-3-1-4-11-21)20-30-24-16-8-7-15-23(24)26(32)29(27(30)33)19-17-22-12-5-2-6-13-22/h1-8,10-13,15-16H,9,14,17-20H2,(H,28,31)
InChIKeyCCQYMLXEKZKPMW-UHFFFAOYSA-N
XLogP3.15
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.15
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

5-[2,4-dioxo-1-[2-oxo-2-(3-phenylpropylamino)ethyl]quinazolin-3-yl]-N-propan-2-ylpentanamide
CID 27371259
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502350
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 53001131
5-[2,4-dioxo-1-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]quinazolin-3-yl]-N-(2-methylpropyl)pentanamide
CID 50763343

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide (CID 51046638) is 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCCCc1ccccc1.
What is the InChIKey of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is CCQYMLXEKZKPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-25(28-18-9-14-21-10-3-1-4-11-21)20-30-24-16-8-7-15-23(24)26(32)29(27(30)33)19-17-22-12-5-2-6-13-22/h1-8,10-13,15-16H,9,14,17-20H2,(H,28,31).
What are the key properties of 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 51046638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).