7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde

C13H9FN2O — CID 115036544

IUPAC7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
SMILESCc1cc2nc(C=O)cn2c2ccc(F)cc12
InChIInChI=1S/C13H9FN2O/c1-8-4-13-15-10(7-17)6-16(13)12-3-2-9(14)5-11(8)12/h2-7H,1H3
InChIKeyPHABKAPXBWXASP-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.75
Rot. Bonds1

About 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde

7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde (PubChem CID 115036544) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
PubChem CID115036544
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
SMILESCc1cc2nc(C=O)cn2c2ccc(F)cc12
InChIInChI=1S/C13H9FN2O/c1-8-4-13-15-10(7-17)6-16(13)12-3-2-9(14)5-11(8)12/h2-7H,1H3
InChIKeyPHABKAPXBWXASP-UHFFFAOYSA-N
XLogP2.75
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.75
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

7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115052525
5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115026842
8-methoxy-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115043627
2-(5-fluoro-3-methylindol-1-yl)acetaldehyde
CID 83829697
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
8-hydroxyimidazo[1,2-a]quinoline-2-carbaldehyde
CID 136982183
3-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 83966085
5-fluoro-1-propylindole-3-carbaldehyde
CID 25219839
2-(5-fluoro-2-methylphenyl)pyrimidine-4-carbaldehyde
CID 62748790
4-fluoro-2-methylbenzaldehyde
CID 2783217
6-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 66572465
3,6-difluoro-1-methylnaphthalene
CID 138605249

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The IUPAC name of 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde (CID 115036544) is 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde.
What is the SMILES notation for 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The canonical SMILES for 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde is Cc1cc2nc(C=O)cn2c2ccc(F)cc12.
What is the InChIKey of 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The InChIKey is PHABKAPXBWXASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c1-8-4-13-15-10(7-17)6-16(13)12-3-2-9(14)5-11(8)12/h2-7H,1H3.
What are the key properties of 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde has a molecular weight of 228.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde is sourced from PubChem (CID 115036544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).