3-[4-(methylamino)quinazolin-2-yl]benzonitrile

C16H12N4 — CID 3233618

IUPAC3-[4-(methylamino)quinazolin-2-yl]benzonitrile
SMILESCNc1nc(-c2cccc(C#N)c2)nc2ccccc12
InChIInChI=1S/C16H12N4/c1-18-16-13-7-2-3-8-14(13)19-15(20-16)12-6-4-5-11(9-12)10-17/h2-9H,1H3,(H,18,19,20)
InChIKeyGKKXDQMITYOQAS-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.21
Rot. Bonds2

About 3-[4-(methylamino)quinazolin-2-yl]benzonitrile

3-[4-(methylamino)quinazolin-2-yl]benzonitrile (PubChem CID 3233618) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[4-(methylamino)quinazolin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(methylamino)quinazolin-2-yl]benzonitrile
PubChem CID3233618
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name3-[4-(methylamino)quinazolin-2-yl]benzonitrile
SMILESCNc1nc(-c2cccc(C#N)c2)nc2ccccc12
InChIInChI=1S/C16H12N4/c1-18-16-13-7-2-3-8-14(13)19-15(20-16)12-6-4-5-11(9-12)10-17/h2-9H,1H3,(H,18,19,20)
InChIKeyGKKXDQMITYOQAS-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

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Related Compounds

3-[2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 170214886
3-[4-[furan-2-ylmethyl(methyl)amino]quinazolin-2-yl]benzonitrile
CID 3234907
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 176848103
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzonitrile
CID 175620932
3-[2,4-bis[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]benzonitrile
CID 170214848
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine
CID 63501184

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)quinazolin-2-yl]benzonitrile?
The IUPAC name of 3-[4-(methylamino)quinazolin-2-yl]benzonitrile (CID 3233618) is 3-[4-(methylamino)quinazolin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-(methylamino)quinazolin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-(methylamino)quinazolin-2-yl]benzonitrile is CNc1nc(-c2cccc(C#N)c2)nc2ccccc12.
What is the InChIKey of 3-[4-(methylamino)quinazolin-2-yl]benzonitrile?
The InChIKey is GKKXDQMITYOQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-18-16-13-7-2-3-8-14(13)19-15(20-16)12-6-4-5-11(9-12)10-17/h2-9H,1H3,(H,18,19,20).
What are the key properties of 3-[4-(methylamino)quinazolin-2-yl]benzonitrile?
3-[4-(methylamino)quinazolin-2-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 3-[4-(methylamino)quinazolin-2-yl]benzonitrile is sourced from PubChem (CID 3233618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).