1-benzoyl-2H-quinoline-2-carbonitrile

C17H12N2O — CID 26219

IUPAC1-benzoyl-2H-quinoline-2-carbonitrile
SMILESN#CC1C=Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H12N2O/c18-12-15-11-10-13-6-4-5-9-16(13)19(15)17(20)14-7-2-1-3-8-14/h1-11,15H
InChIKeyISINJAULVPSFFZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds1

About 1-benzoyl-2H-quinoline-2-carbonitrile

1-benzoyl-2H-quinoline-2-carbonitrile (PubChem CID 26219) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-benzoyl-2H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name1-benzoyl-2H-quinoline-2-carbonitrile
PubChem CID26219
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-benzoyl-2H-quinoline-2-carbonitrile
SMILESN#CC1C=Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C17H12N2O/c18-12-15-11-10-13-6-4-5-9-16(13)19(15)17(20)14-7-2-1-3-8-14/h1-11,15H
InChIKeyISINJAULVPSFFZ-UHFFFAOYSA-N
XLogP3.25
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2H-quinoline-2-carbonitrile?
The IUPAC name of 1-benzoyl-2H-quinoline-2-carbonitrile (CID 26219) is 1-benzoyl-2H-quinoline-2-carbonitrile.
What is the SMILES notation for 1-benzoyl-2H-quinoline-2-carbonitrile?
The canonical SMILES for 1-benzoyl-2H-quinoline-2-carbonitrile is N#CC1C=Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2H-quinoline-2-carbonitrile?
The InChIKey is ISINJAULVPSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c18-12-15-11-10-13-6-4-5-9-16(13)19(15)17(20)14-7-2-1-3-8-14/h1-11,15H.
What are the key properties of 1-benzoyl-2H-quinoline-2-carbonitrile?
1-benzoyl-2H-quinoline-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2H-quinoline-2-carbonitrile is sourced from PubChem (CID 26219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).