4-amino-6-bromoquinoline-3-carbaldehyde

C10H7BrN2O — CID 144846091

IUPAC4-amino-6-bromoquinoline-3-carbaldehyde
SMILESNc1c(C=O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-9-8(3-7)10(12)6(5-14)4-13-9/h1-5H,(H2,12,13)
InChIKeyGWVJTEKTSFHPOH-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.39
Rot. Bonds1

About 4-amino-6-bromoquinoline-3-carbaldehyde

4-amino-6-bromoquinoline-3-carbaldehyde (PubChem CID 144846091) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 4-amino-6-bromoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-bromoquinoline-3-carbaldehyde
PubChem CID144846091
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name4-amino-6-bromoquinoline-3-carbaldehyde
SMILESNc1c(C=O)cnc2ccc(Br)cc12
InChIInChI=1S/C10H7BrN2O/c11-7-1-2-9-8(3-7)10(12)6(5-14)4-13-9/h1-5H,(H2,12,13)
InChIKeyGWVJTEKTSFHPOH-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-6-bromoquinoline-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765
9-bromobenzo[f][2,7]naphthyridin-4-amine
CID 69170958
4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
CID 144956377
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
N-[(3-amino-7-bromoquinolin-4-yl)amino]formamide
CID 174483755
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
6-bromo-4-methylquinoline-3-thiol;methanamine
CID 155715613
6-bromo-4-N-(5-bromo-2-fluorophenyl)quinoline-3,4-diamine
CID 43621343
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromoquinoline-3-carbaldehyde?
The IUPAC name of 4-amino-6-bromoquinoline-3-carbaldehyde (CID 144846091) is 4-amino-6-bromoquinoline-3-carbaldehyde.
What is the SMILES notation for 4-amino-6-bromoquinoline-3-carbaldehyde?
The canonical SMILES for 4-amino-6-bromoquinoline-3-carbaldehyde is Nc1c(C=O)cnc2ccc(Br)cc12.
What is the InChIKey of 4-amino-6-bromoquinoline-3-carbaldehyde?
The InChIKey is GWVJTEKTSFHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-7-1-2-9-8(3-7)10(12)6(5-14)4-13-9/h1-5H,(H2,12,13).
What are the key properties of 4-amino-6-bromoquinoline-3-carbaldehyde?
4-amino-6-bromoquinoline-3-carbaldehyde has a molecular weight of 251.08 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromoquinoline-3-carbaldehyde is sourced from PubChem (CID 144846091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).