3,8a-dihydroquinazoline

C8H8N2 — CID 91312252

IUPAC3,8a-dihydroquinazoline
SMILESC1=CC2=CNC=NC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6,8H,(H,9,10)
InChIKeyIIBCWPXJYUHGGO-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.00
Rot. Bonds

About 3,8a-dihydroquinazoline

3,8a-dihydroquinazoline (PubChem CID 91312252) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3,8a-dihydroquinazoline.

Molecular Properties

Compound Name3,8a-dihydroquinazoline
PubChem CID91312252
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3,8a-dihydroquinazoline
SMILESC1=CC2=CNC=NC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6,8H,(H,9,10)
InChIKeyIIBCWPXJYUHGGO-UHFFFAOYSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8a-dihydroquinazoline?
The IUPAC name of 3,8a-dihydroquinazoline (CID 91312252) is 3,8a-dihydroquinazoline.
What is the SMILES notation for 3,8a-dihydroquinazoline?
The canonical SMILES for 3,8a-dihydroquinazoline is C1=CC2=CNC=NC2C=C1.
What is the InChIKey of 3,8a-dihydroquinazoline?
The InChIKey is IIBCWPXJYUHGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6,8H,(H,9,10).
What are the key properties of 3,8a-dihydroquinazoline?
3,8a-dihydroquinazoline has a molecular weight of 132.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dihydroquinazoline is sourced from PubChem (CID 91312252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).