8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile

C11H10N2O — CID 130050504

IUPAC8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile
SMILESCc1c(C#N)ccc2c1NCCC2=O
InChIInChI=1S/C11H10N2O/c1-7-8(6-12)2-3-9-10(14)4-5-13-11(7)9/h2-3,13H,4-5H2,1H3
InChIKeyUELSYNSIZYBUPP-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.87
Rot. Bonds

About 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile

8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile (PubChem CID 130050504) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile
PubChem CID130050504
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile
SMILESCc1c(C#N)ccc2c1NCCC2=O
InChIInChI=1S/C11H10N2O/c1-7-8(6-12)2-3-9-10(14)4-5-13-11(7)9/h2-3,13H,4-5H2,1H3
InChIKeyUELSYNSIZYBUPP-UHFFFAOYSA-N
XLogP1.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile?
The IUPAC name of 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile (CID 130050504) is 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile.
What is the SMILES notation for 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile?
The canonical SMILES for 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile is Cc1c(C#N)ccc2c1NCCC2=O.
What is the InChIKey of 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile?
The InChIKey is UELSYNSIZYBUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-8(6-12)2-3-9-10(14)4-5-13-11(7)9/h2-3,13H,4-5H2,1H3.
What are the key properties of 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile?
8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-2,3-dihydro-1H-quinoline-7-carbonitrile is sourced from PubChem (CID 130050504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).