5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline

C17H7BrF4N2 — CID 171470429

IUPAC5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline
SMILESFc1c(F)c(F)c2c(-c3ccc4c(Br)cccc4n3)c[nH]c2c1F
InChIInChI=1S/C17H7BrF4N2/c18-9-2-1-3-10-7(9)4-5-11(24-10)8-6-23-17-12(8)13(19)14(20)15(21)16(17)22/h1-6,23H
InChIKeyIZSPPGRVILJPDT-UHFFFAOYSA-N
MW395.15 g/mol
LogP5.70
Rot. Bonds1

About 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline

5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline (PubChem CID 171470429) has the molecular formula C17H7BrF4N2 and a molecular weight of 395.15 g/mol. Its IUPAC name is 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline
PubChem CID171470429
Molecular FormulaC17H7BrF4N2
Molecular Weight395.15 g/mol
Exact Mass393.97
IUPAC Name5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline
SMILESFc1c(F)c(F)c2c(-c3ccc4c(Br)cccc4n3)c[nH]c2c1F
InChIInChI=1S/C17H7BrF4N2/c18-9-2-1-3-10-7(9)4-5-11(24-10)8-6-23-17-12(8)13(19)14(20)15(21)16(17)22/h1-6,23H
InChIKeyIZSPPGRVILJPDT-UHFFFAOYSA-N
XLogP5.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.15
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline (CID 171470429) is 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline is Fc1c(F)c(F)c2c(-c3ccc4c(Br)cccc4n3)c[nH]c2c1F.
What is the InChIKey of 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline?
The InChIKey is IZSPPGRVILJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7BrF4N2/c18-9-2-1-3-10-7(9)4-5-11(24-10)8-6-23-17-12(8)13(19)14(20)15(21)16(17)22/h1-6,23H.
What are the key properties of 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline?
5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline has a molecular weight of 395.15 g/mol, XLogP of 5.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 171470429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).