2-[4-(methylamino)quinazolin-6-yl]benzonitrile

C16H12N4 — CID 3232631

IUPAC2-[4-(methylamino)quinazolin-6-yl]benzonitrile
SMILESCNc1ncnc2ccc(-c3ccccc3C#N)cc12
InChIInChI=1S/C16H12N4/c1-18-16-14-8-11(6-7-15(14)19-10-20-16)13-5-3-2-4-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
InChIKeyFEYKPOYANGUKPH-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.21
Rot. Bonds2

About 2-[4-(methylamino)quinazolin-6-yl]benzonitrile

2-[4-(methylamino)quinazolin-6-yl]benzonitrile (PubChem CID 3232631) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[4-(methylamino)quinazolin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(methylamino)quinazolin-6-yl]benzonitrile
PubChem CID3232631
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-[4-(methylamino)quinazolin-6-yl]benzonitrile
SMILESCNc1ncnc2ccc(-c3ccccc3C#N)cc12
InChIInChI=1S/C16H12N4/c1-18-16-14-8-11(6-7-15(14)19-10-20-16)13-5-3-2-4-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
InChIKeyFEYKPOYANGUKPH-UHFFFAOYSA-N
XLogP3.21
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(methylamino)quinazolin-6-yl]benzonitrile 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 2-[4-(methylamino)quinazolin-6-yl]benzonitrile?
The IUPAC name of 2-[4-(methylamino)quinazolin-6-yl]benzonitrile (CID 3232631) is 2-[4-(methylamino)quinazolin-6-yl]benzonitrile.
What is the SMILES notation for 2-[4-(methylamino)quinazolin-6-yl]benzonitrile?
The canonical SMILES for 2-[4-(methylamino)quinazolin-6-yl]benzonitrile is CNc1ncnc2ccc(-c3ccccc3C#N)cc12.
What is the InChIKey of 2-[4-(methylamino)quinazolin-6-yl]benzonitrile?
The InChIKey is FEYKPOYANGUKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-18-16-14-8-11(6-7-15(14)19-10-20-16)13-5-3-2-4-12(13)9-17/h2-8,10H,1H3,(H,18,19,20).
What are the key properties of 2-[4-(methylamino)quinazolin-6-yl]benzonitrile?
2-[4-(methylamino)quinazolin-6-yl]benzonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)quinazolin-6-yl]benzonitrile is sourced from PubChem (CID 3232631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).