6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione

C11H11N3O2 — CID 169464266

IUPAC6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione
SMILESNCC=Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C11H11N3O2/c12-5-1-2-7-3-4-9-8(6-7)10(15)14-11(16)13-9/h1-4,6H,5,12H2,(H2,13,14,15,16)
InChIKeyXBHURLFFGGYQLW-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.19
Rot. Bonds2

About 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione

6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione (PubChem CID 169464266) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione
PubChem CID169464266
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione
SMILESNCC=Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C11H11N3O2/c12-5-1-2-7-3-4-9-8(6-7)10(15)14-11(16)13-9/h1-4,6H,5,12H2,(H2,13,14,15,16)
InChIKeyXBHURLFFGGYQLW-UHFFFAOYSA-N
XLogP0.19
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione (CID 169464266) is 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione is NCC=Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione?
The InChIKey is XBHURLFFGGYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-5-1-2-7-3-4-9-8(6-7)10(15)14-11(16)13-9/h1-4,6H,5,12H2,(H2,13,14,15,16).
What are the key properties of 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione?
6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione has a molecular weight of 217.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoprop-1-enyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 169464266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).