4,4a-dihydroquinazoline

C8H8N2 — CID 118369125

IUPAC4,4a-dihydroquinazoline
SMILESC1=CC2=NC=NCC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6-7H,5H2
InChIKeyWXLISLOCVNZMGR-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.21
Rot. Bonds

About 4,4a-dihydroquinazoline

4,4a-dihydroquinazoline (PubChem CID 118369125) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 4,4a-dihydroquinazoline.

Molecular Properties

Compound Name4,4a-dihydroquinazoline
PubChem CID118369125
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name4,4a-dihydroquinazoline
SMILESC1=CC2=NC=NCC2C=C1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6-7H,5H2
InChIKeyWXLISLOCVNZMGR-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydroquinazoline?
The IUPAC name of 4,4a-dihydroquinazoline (CID 118369125) is 4,4a-dihydroquinazoline.
What is the SMILES notation for 4,4a-dihydroquinazoline?
The canonical SMILES for 4,4a-dihydroquinazoline is C1=CC2=NC=NCC2C=C1.
What is the InChIKey of 4,4a-dihydroquinazoline?
The InChIKey is WXLISLOCVNZMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6-7H,5H2.
What are the key properties of 4,4a-dihydroquinazoline?
4,4a-dihydroquinazoline has a molecular weight of 132.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydroquinazoline is sourced from PubChem (CID 118369125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).