1,4-dihydroquinazoline

C8H8N2 — CID 583065

IUPAC1,4-dihydroquinazoline
SMILESC1=NCc2ccccc2N1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2,(H,9,10)
InChIKeyLGACUMPRRMLUFZ-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.64
Rot. Bonds

About 1,4-dihydroquinazoline

1,4-dihydroquinazoline (PubChem CID 583065) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,4-dihydroquinazoline.

Molecular Properties

Compound Name1,4-dihydroquinazoline
PubChem CID583065
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,4-dihydroquinazoline
SMILESC1=NCc2ccccc2N1
InChIInChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2,(H,9,10)
InChIKeyLGACUMPRRMLUFZ-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroquinazoline?
The IUPAC name of 1,4-dihydroquinazoline (CID 583065) is 1,4-dihydroquinazoline.
What is the SMILES notation for 1,4-dihydroquinazoline?
The canonical SMILES for 1,4-dihydroquinazoline is C1=NCc2ccccc2N1.
What is the InChIKey of 1,4-dihydroquinazoline?
The InChIKey is LGACUMPRRMLUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2,(H,9,10).
What are the key properties of 1,4-dihydroquinazoline?
1,4-dihydroquinazoline has a molecular weight of 132.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroquinazoline is sourced from PubChem (CID 583065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).