4-N-cyclooctylquinazoline-2,4-diamine

C16H22N4 — CID 80786546

IUPAC4-N-cyclooctylquinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCCCC2)c2ccccc2n1
InChIInChI=1S/C16H22N4/c17-16-19-14-11-7-6-10-13(14)15(20-16)18-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H3,17,18,19,20)
InChIKeyCRQZBOJASIHQHL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.74
Rot. Bonds2

About 4-N-cyclooctylquinazoline-2,4-diamine

4-N-cyclooctylquinazoline-2,4-diamine (PubChem CID 80786546) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-cyclooctylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclooctylquinazoline-2,4-diamine
PubChem CID80786546
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-cyclooctylquinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCCCC2)c2ccccc2n1
InChIInChI=1S/C16H22N4/c17-16-19-14-11-7-6-10-13(14)15(20-16)18-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H3,17,18,19,20)
InChIKeyCRQZBOJASIHQHL-UHFFFAOYSA-N
XLogP3.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclooctylquinazoline-2,4-diamine 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 4-N-cyclooctylquinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclooctylquinazoline-2,4-diamine (CID 80786546) is 4-N-cyclooctylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclooctylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclooctylquinazoline-2,4-diamine is Nc1nc(NC2CCCCCCC2)c2ccccc2n1.
What is the InChIKey of 4-N-cyclooctylquinazoline-2,4-diamine?
The InChIKey is CRQZBOJASIHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-16-19-14-11-7-6-10-13(14)15(20-16)18-12-8-4-2-1-3-5-9-12/h6-7,10-12H,1-5,8-9H2,(H3,17,18,19,20).
What are the key properties of 4-N-cyclooctylquinazoline-2,4-diamine?
4-N-cyclooctylquinazoline-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctylquinazoline-2,4-diamine is sourced from PubChem (CID 80786546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).