7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline

C12H8BrClFN — CID 70978072

IUPAC7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline
SMILESFc1c(Br)cc2c(c1Cl)-n1cccc1CC2
InChIInChI=1S/C12H8BrClFN/c13-9-6-7-3-4-8-2-1-5-16(8)12(7)10(14)11(9)15/h1-2,5-6H,3-4H2
InChIKeyWLSSXWSRNHATIL-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.13
Rot. Bonds

About 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline

7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline (PubChem CID 70978072) has the molecular formula C12H8BrClFN and a molecular weight of 300.56 g/mol. Its IUPAC name is 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline
PubChem CID70978072
Molecular FormulaC12H8BrClFN
Molecular Weight300.56 g/mol
Exact Mass298.95
IUPAC Name7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline
SMILESFc1c(Br)cc2c(c1Cl)-n1cccc1CC2
InChIInChI=1S/C12H8BrClFN/c13-9-6-7-3-4-8-2-1-5-16(8)12(7)10(14)11(9)15/h1-2,5-6H,3-4H2
InChIKeyWLSSXWSRNHATIL-UHFFFAOYSA-N
XLogP4.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline?
The IUPAC name of 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline (CID 70978072) is 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline.
What is the SMILES notation for 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline?
The canonical SMILES for 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline is Fc1c(Br)cc2c(c1Cl)-n1cccc1CC2.
What is the InChIKey of 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline?
The InChIKey is WLSSXWSRNHATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFN/c13-9-6-7-3-4-8-2-1-5-16(8)12(7)10(14)11(9)15/h1-2,5-6H,3-4H2.
What are the key properties of 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline?
7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline has a molecular weight of 300.56 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-chloro-8-fluoro-4,5-dihydropyrrolo[1,2-a]quinoline is sourced from PubChem (CID 70978072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).