6-(dimethylamino)isoquinoline-5-carbaldehyde

C12H12N2O — CID 165144196

IUPAC6-(dimethylamino)isoquinoline-5-carbaldehyde
SMILESCN(C)c1ccc2cnccc2c1C=O
InChIInChI=1S/C12H12N2O/c1-14(2)12-4-3-9-7-13-6-5-10(9)11(12)8-15/h3-8H,1-2H3
InChIKeyMPINSLVBBYGNDI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.11
Rot. Bonds2

About 6-(dimethylamino)isoquinoline-5-carbaldehyde

6-(dimethylamino)isoquinoline-5-carbaldehyde (PubChem CID 165144196) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-(dimethylamino)isoquinoline-5-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)isoquinoline-5-carbaldehyde
PubChem CID165144196
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-(dimethylamino)isoquinoline-5-carbaldehyde
SMILESCN(C)c1ccc2cnccc2c1C=O
InChIInChI=1S/C12H12N2O/c1-14(2)12-4-3-9-7-13-6-5-10(9)11(12)8-15/h3-8H,1-2H3
InChIKeyMPINSLVBBYGNDI-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)isoquinoline-5-carbaldehyde?
The IUPAC name of 6-(dimethylamino)isoquinoline-5-carbaldehyde (CID 165144196) is 6-(dimethylamino)isoquinoline-5-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)isoquinoline-5-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)isoquinoline-5-carbaldehyde is CN(C)c1ccc2cnccc2c1C=O.
What is the InChIKey of 6-(dimethylamino)isoquinoline-5-carbaldehyde?
The InChIKey is MPINSLVBBYGNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-14(2)12-4-3-9-7-13-6-5-10(9)11(12)8-15/h3-8H,1-2H3.
What are the key properties of 6-(dimethylamino)isoquinoline-5-carbaldehyde?
6-(dimethylamino)isoquinoline-5-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)isoquinoline-5-carbaldehyde is sourced from PubChem (CID 165144196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).