2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide

C21H24N4O3 — CID 17427622

IUPAC2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H24N4O3/c1-2-24(16-9-4-3-5-10-16)14-8-13-22-19(26)15-25-18-12-7-6-11-17(18)20(27)23-21(25)28/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,26)(H,23,27,28)
InChIKeyJGZMFYJGYARZON-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.72
Rot. Bonds8

About 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide

2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide (PubChem CID 17427622) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
PubChem CID17427622
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide
SMILESCCN(CCCNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H24N4O3/c1-2-24(16-9-4-3-5-10-16)14-8-13-22-19(26)15-25-18-12-7-6-11-17(18)20(27)23-21(25)28/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,26)(H,23,27,28)
InChIKeyJGZMFYJGYARZON-UHFFFAOYSA-N
XLogP1.72
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide (CID 17427622) is 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide is CCN(CCCNC(=O)Cn1c(=O)[nH]c(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide?
The InChIKey is JGZMFYJGYARZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-24(16-9-4-3-5-10-16)14-8-13-22-19(26)15-25-18-12-7-6-11-17(18)20(27)23-21(25)28/h3-7,9-12H,2,8,13-15H2,1H3,(H,22,26)(H,23,27,28).
What are the key properties of 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide?
2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoquinazolin-1-yl)-N-[3-(N-ethylanilino)propyl]acetamide is sourced from PubChem (CID 17427622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).