1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile

C18H14N2O — CID 4672308

IUPAC1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile
SMILESCc1ccc2c(c1)C=CC(C#N)N2C(=O)c1ccccc1
InChIInChI=1S/C18H14N2O/c1-13-7-10-17-15(11-13)8-9-16(12-19)20(17)18(21)14-5-3-2-4-6-14/h2-11,16H,1H3
InChIKeyNTIJTEBBAZRBAW-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.56
Rot. Bonds1

About 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile

1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile (PubChem CID 4672308) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile.

Molecular Properties

Compound Name1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile
PubChem CID4672308
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile
SMILESCc1ccc2c(c1)C=CC(C#N)N2C(=O)c1ccccc1
InChIInChI=1S/C18H14N2O/c1-13-7-10-17-15(11-13)8-9-16(12-19)20(17)18(21)14-5-3-2-4-6-14/h2-11,16H,1H3
InChIKeyNTIJTEBBAZRBAW-UHFFFAOYSA-N
XLogP3.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile?
The IUPAC name of 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile (CID 4672308) is 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile.
What is the SMILES notation for 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile?
The canonical SMILES for 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile is Cc1ccc2c(c1)C=CC(C#N)N2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile?
The InChIKey is NTIJTEBBAZRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13-7-10-17-15(11-13)8-9-16(12-19)20(17)18(21)14-5-3-2-4-6-14/h2-11,16H,1H3.
What are the key properties of 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile?
1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-6-methyl-2H-quinoline-2-carbonitrile is sourced from PubChem (CID 4672308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).