2-(2-aminoquinazolin-7-yl)benzonitrile

C15H10N4 — CID 166358266

IUPAC2-(2-aminoquinazolin-7-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc2cnc(N)nc2c1
InChIInChI=1S/C15H10N4/c16-8-11-3-1-2-4-13(11)10-5-6-12-9-18-15(17)19-14(12)7-10/h1-7,9H,(H2,17,18,19)
InChIKeyPQTUDCLYQRVKDZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.75
Rot. Bonds1

About 2-(2-aminoquinazolin-7-yl)benzonitrile

2-(2-aminoquinazolin-7-yl)benzonitrile (PubChem CID 166358266) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-aminoquinazolin-7-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-aminoquinazolin-7-yl)benzonitrile
PubChem CID166358266
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name2-(2-aminoquinazolin-7-yl)benzonitrile
SMILESN#Cc1ccccc1-c1ccc2cnc(N)nc2c1
InChIInChI=1S/C15H10N4/c16-8-11-3-1-2-4-13(11)10-5-6-12-9-18-15(17)19-14(12)7-10/h1-7,9H,(H2,17,18,19)
InChIKeyPQTUDCLYQRVKDZ-UHFFFAOYSA-N
XLogP2.75
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoquinazolin-7-yl)benzonitrile?
The IUPAC name of 2-(2-aminoquinazolin-7-yl)benzonitrile (CID 166358266) is 2-(2-aminoquinazolin-7-yl)benzonitrile.
What is the SMILES notation for 2-(2-aminoquinazolin-7-yl)benzonitrile?
The canonical SMILES for 2-(2-aminoquinazolin-7-yl)benzonitrile is N#Cc1ccccc1-c1ccc2cnc(N)nc2c1.
What is the InChIKey of 2-(2-aminoquinazolin-7-yl)benzonitrile?
The InChIKey is PQTUDCLYQRVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-8-11-3-1-2-4-13(11)10-5-6-12-9-18-15(17)19-14(12)7-10/h1-7,9H,(H2,17,18,19).
What are the key properties of 2-(2-aminoquinazolin-7-yl)benzonitrile?
2-(2-aminoquinazolin-7-yl)benzonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoquinazolin-7-yl)benzonitrile is sourced from PubChem (CID 166358266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).