6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile

C12H10N2O2 — CID 59756891

IUPAC6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile
SMILESCOc1cc2nccc(C#N)c2cc1CO
InChIInChI=1S/C12H10N2O2/c1-16-12-5-11-10(4-9(12)7-15)8(6-13)2-3-14-11/h2-5,15H,7H2,1H3
InChIKeyPJOWZDAZVATNBW-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.61
Rot. Bonds2

About 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile

6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile (PubChem CID 59756891) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile
PubChem CID59756891
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile
SMILESCOc1cc2nccc(C#N)c2cc1CO
InChIInChI=1S/C12H10N2O2/c1-16-12-5-11-10(4-9(12)7-15)8(6-13)2-3-14-11/h2-5,15H,7H2,1H3
InChIKeyPJOWZDAZVATNBW-UHFFFAOYSA-N
XLogP1.61
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile?
The IUPAC name of 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile (CID 59756891) is 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile.
What is the SMILES notation for 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile?
The canonical SMILES for 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile is COc1cc2nccc(C#N)c2cc1CO.
What is the InChIKey of 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile?
The InChIKey is PJOWZDAZVATNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-16-12-5-11-10(4-9(12)7-15)8(6-13)2-3-14-11/h2-5,15H,7H2,1H3.
What are the key properties of 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile?
6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 59756891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).