8,8a-dihydroquinazoline

C8H8N2 — CID 123287929

IUPAC8,8a-dihydroquinazoline
SMILESC1=CCC2N=CN=CC2=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-3,5-6,8H,4H2
InChIKeyWKLLRHFIRCDYKE-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.35
Rot. Bonds

About 8,8a-dihydroquinazoline

8,8a-dihydroquinazoline (PubChem CID 123287929) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 8,8a-dihydroquinazoline.

Molecular Properties

Compound Name8,8a-dihydroquinazoline
PubChem CID123287929
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name8,8a-dihydroquinazoline
SMILESC1=CCC2N=CN=CC2=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-3,5-6,8H,4H2
InChIKeyWKLLRHFIRCDYKE-UHFFFAOYSA-N
XLogP1.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8a-dihydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydroquinazoline?
The IUPAC name of 8,8a-dihydroquinazoline (CID 123287929) is 8,8a-dihydroquinazoline.
What is the SMILES notation for 8,8a-dihydroquinazoline?
The canonical SMILES for 8,8a-dihydroquinazoline is C1=CCC2N=CN=CC2=C1.
What is the InChIKey of 8,8a-dihydroquinazoline?
The InChIKey is WKLLRHFIRCDYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-3,5-6,8H,4H2.
What are the key properties of 8,8a-dihydroquinazoline?
8,8a-dihydroquinazoline has a molecular weight of 132.17 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydroquinazoline is sourced from PubChem (CID 123287929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).