2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde

C14H12N2O — CID 115034432

IUPAC2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
SMILESCc1nc2c3cccc(C)c3ccn2c1C=O
InChIInChI=1S/C14H12N2O/c1-9-4-3-5-12-11(9)6-7-16-13(8-17)10(2)15-14(12)16/h3-8H,1-2H3
InChIKeyGVCRCEJZPWMOIR-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.92
Rot. Bonds1

About 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde

2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde (PubChem CID 115034432) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
PubChem CID115034432
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde
SMILESCc1nc2c3cccc(C)c3ccn2c1C=O
InChIInChI=1S/C14H12N2O/c1-9-4-3-5-12-11(9)6-7-16-13(8-17)10(2)15-14(12)16/h3-8H,1-2H3
InChIKeyGVCRCEJZPWMOIR-UHFFFAOYSA-N
XLogP2.92
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758567
N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]acetamide
CID 139767770
3-bromo-7-methylimidazo[2,1-a]isoquinoline
CID 115048749
2-chloro-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529691
methyl N-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-6-methylphenyl]carbamate
CID 139767757
12-tert-butyl-6-methyl-10,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene
CID 70651807
8-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529082
1,5-dimethylnaphthalene
CID 162159355
2-methyl-3-phenylimidazo[2,1-a]isoquinoline
CID 58517681
1,5-dimethylisoquinoline-3-carbaldehyde
CID 83528029
2,5-dimethylquinoline-3-carbaldehyde
CID 163549311
[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate
CID 139767773

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde?
The IUPAC name of 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde (CID 115034432) is 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde.
What is the SMILES notation for 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde?
The canonical SMILES for 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde is Cc1nc2c3cccc(C)c3ccn2c1C=O.
What is the InChIKey of 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde?
The InChIKey is GVCRCEJZPWMOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-4-3-5-12-11(9)6-7-16-13(8-17)10(2)15-14(12)16/h3-8H,1-2H3.
What are the key properties of 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde?
2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylimidazo[2,1-a]isoquinoline-3-carbaldehyde is sourced from PubChem (CID 115034432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).