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

C13H9BrN2O — CID 115052525

IUPAC7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
SMILESCc1cc2nc(C=O)cn2c2ccc(Br)cc12
InChIInChI=1S/C13H9BrN2O/c1-8-4-13-15-10(7-17)6-16(13)12-3-2-9(14)5-11(8)12/h2-7H,1H3
InChIKeyRLSXDQATTYASJG-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.37
Rot. Bonds1

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

7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde (PubChem CID 115052525) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
PubChem CID115052525
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
SMILESCc1cc2nc(C=O)cn2c2ccc(Br)cc12
InChIInChI=1S/C13H9BrN2O/c1-8-4-13-15-10(7-17)6-16(13)12-3-2-9(14)5-11(8)12/h2-7H,1H3
InChIKeyRLSXDQATTYASJG-UHFFFAOYSA-N
XLogP3.37
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.37
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-fluoro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115036544
5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115026842
8-chloro-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115045432
8-methoxy-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115043627
8-bromopyrazino[1,2-a]indole-10-carbaldehyde
CID 82378860
8-hydroxyimidazo[1,2-a]quinoline-2-carbaldehyde
CID 136982183
2-(5-bromo-3-methylindazol-1-yl)acetaldehyde
CID 83843834
12-bromo-7-hydroxy-3-methyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
CID 21252842
5-bromo-1-ethylbenzimidazole-2-carbaldehyde
CID 63772017
11-bromo-6,7-dimethylimidazo[1,2-f]phenanthridine
CID 135379707
8-bromo-5-methyltetrazolo[1,5-a]quinoline
CID 115049073
3-(5-bromo-3-methylindol-1-yl)propanoic acid
CID 82502249

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The IUPAC name of 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde (CID 115052525) is 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde.
What is the SMILES notation for 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The canonical SMILES for 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde is Cc1cc2nc(C=O)cn2c2ccc(Br)cc12.
What is the InChIKey of 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
The InChIKey is RLSXDQATTYASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/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-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde?
7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde has a molecular weight of 289.13 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde is sourced from PubChem (CID 115052525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).