3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione

C16H19N3O2 — CID 19001789

IUPAC3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCN1CC2CCC2C1
InChIInChI=1S/C16H19N3O2/c20-15-13-3-1-2-4-14(13)17-16(21)19(15)8-7-18-9-11-5-6-12(11)10-18/h1-4,11-12H,5-10H2,(H,17,21)
InChIKeyOSEZZPFTTOWTSH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.03
Rot. Bonds3

About 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione

3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 19001789) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID19001789
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCN1CC2CCC2C1
InChIInChI=1S/C16H19N3O2/c20-15-13-3-1-2-4-14(13)17-16(21)19(15)8-7-18-9-11-5-6-12(11)10-18/h1-4,11-12H,5-10H2,(H,17,21)
InChIKeyOSEZZPFTTOWTSH-UHFFFAOYSA-N
XLogP1.03
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione (CID 19001789) is 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCN1CC2CCC2C1.
What is the InChIKey of 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is OSEZZPFTTOWTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-13-3-1-2-4-14(13)17-16(21)19(15)8-7-18-9-11-5-6-12(11)10-18/h1-4,11-12H,5-10H2,(H,17,21).
What are the key properties of 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione?
3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 285.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19001789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).