8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde

C13H9ClN2O — CID 115045432

IUPAC8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
SMILESCc1cc2nc(C=O)cn2c2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN2O/c1-8-4-13-15-10(7-17)6-16(13)12-5-9(14)2-3-11(8)12/h2-7H,1H3
InChIKeyBFEKQNCYEPESSB-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.26
Rot. Bonds1

About 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde

8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde (PubChem CID 115045432) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
PubChem CID115045432
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
SMILESCc1cc2nc(C=O)cn2c2cc(Cl)ccc12
InChIInChI=1S/C13H9ClN2O/c1-8-4-13-15-10(7-17)6-16(13)12-5-9(14)2-3-11(8)12/h2-7H,1H3
InChIKeyBFEKQNCYEPESSB-UHFFFAOYSA-N
XLogP3.26
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.26
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

5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115026842
8-methoxy-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115043627
7-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115036544
7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115052525
7-chloroimidazo[1,2-a]pyridine-2-carbaldehyde
CID 55266936
2,5-dimethylimidazo[1,2-a]quinoline-8-carboxylic acid
CID 115043601
8-hydroxyimidazo[1,2-a]quinoline-2-carbaldehyde
CID 136982183
1-(4-chlorophenyl)-2-methylimidazole-4-carbaldehyde
CID 90415042
6-chloro-1-propan-2-ylindole-3-carbaldehyde
CID 117122246
1-bromo-6-chloroindole-3-carbaldehyde
CID 90421604
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The IUPAC name of 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde (CID 115045432) is 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde.
What is the SMILES notation for 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The canonical SMILES for 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde is Cc1cc2nc(C=O)cn2c2cc(Cl)ccc12.
What is the InChIKey of 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The InChIKey is BFEKQNCYEPESSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-4-13-15-10(7-17)6-16(13)12-5-9(14)2-3-11(8)12/h2-7H,1H3.
What are the key properties of 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde has a molecular weight of 244.68 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde is sourced from PubChem (CID 115045432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).