6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile

C12H10N2O — CID 118665171

IUPAC6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
SMILESCc1cnc2c(C#N)cc(CO)cc2c1
InChIInChI=1S/C12H10N2O/c1-8-2-10-3-9(7-15)4-11(5-13)12(10)14-6-8/h2-4,6,15H,7H2,1H3
InChIKeyLXSRWBITUDIINX-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.91
Rot. Bonds1

About 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile

6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile (PubChem CID 118665171) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
PubChem CID118665171
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile
SMILESCc1cnc2c(C#N)cc(CO)cc2c1
InChIInChI=1S/C12H10N2O/c1-8-2-10-3-9(7-15)4-11(5-13)12(10)14-6-8/h2-4,6,15H,7H2,1H3
InChIKeyLXSRWBITUDIINX-UHFFFAOYSA-N
XLogP1.91
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile?
The IUPAC name of 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile (CID 118665171) is 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile.
What is the SMILES notation for 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile?
The canonical SMILES for 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile is Cc1cnc2c(C#N)cc(CO)cc2c1.
What is the InChIKey of 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile?
The InChIKey is LXSRWBITUDIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-2-10-3-9(7-15)4-11(5-13)12(10)14-6-8/h2-4,6,15H,7H2,1H3.
What are the key properties of 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile?
6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile has a molecular weight of 198.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-methylquinoline-8-carbonitrile is sourced from PubChem (CID 118665171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).