2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide

C28H28N4O4 — CID 2134312

IUPAC2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C28H28N4O4/c1-2-20-11-8-12-22(17-20)30-26(34)19-31-24-14-7-6-13-23(24)27(35)32(28(31)36)18-25(33)29-16-15-21-9-4-3-5-10-21/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyAACLRGCBQSRVED-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.72
Rot. Bonds9

About 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide

2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 2134312) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID2134312
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C28H28N4O4/c1-2-20-11-8-12-22(17-20)30-26(34)19-31-24-14-7-6-13-23(24)27(35)32(28(31)36)18-25(33)29-16-15-21-9-4-3-5-10-21/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,33)(H,30,34)
InChIKeyAACLRGCBQSRVED-UHFFFAOYSA-N
XLogP2.72
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide (CID 2134312) is 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NCCc3ccccc3)c(=O)c3ccccc32)c1.
What is the InChIKey of 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is AACLRGCBQSRVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-2-20-11-8-12-22(17-20)30-26(34)19-31-24-14-7-6-13-23(24)27(35)32(28(31)36)18-25(33)29-16-15-21-9-4-3-5-10-21/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 484.56 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 2134312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).