2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline

C17H10BrFN2 — CID 118449886

IUPAC2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline
SMILESFc1cccc2nc(-c3c[nH]c4c(Br)cccc34)ccc12
InChIInChI=1S/C17H10BrFN2/c18-13-4-1-3-10-12(9-20-17(10)13)16-8-7-11-14(19)5-2-6-15(11)21-16/h1-9,20H
InChIKeyMZRSLKNKESQSOH-UHFFFAOYSA-N
MW341.18 g/mol
LogP5.28
Rot. Bonds1

About 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline

2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline (PubChem CID 118449886) has the molecular formula C17H10BrFN2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline.

Molecular Properties

Compound Name2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline
PubChem CID118449886
Molecular FormulaC17H10BrFN2
Molecular Weight341.18 g/mol
Exact Mass340.00
IUPAC Name2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline
SMILESFc1cccc2nc(-c3c[nH]c4c(Br)cccc34)ccc12
InChIInChI=1S/C17H10BrFN2/c18-13-4-1-3-10-12(9-20-17(10)13)16-8-7-11-14(19)5-2-6-15(11)21-16/h1-9,20H
InChIKeyMZRSLKNKESQSOH-UHFFFAOYSA-N
XLogP5.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.18
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline?
The IUPAC name of 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline (CID 118449886) is 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline.
What is the SMILES notation for 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline?
The canonical SMILES for 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline is Fc1cccc2nc(-c3c[nH]c4c(Br)cccc34)ccc12.
What is the InChIKey of 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline?
The InChIKey is MZRSLKNKESQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN2/c18-13-4-1-3-10-12(9-20-17(10)13)16-8-7-11-14(19)5-2-6-15(11)21-16/h1-9,20H.
What are the key properties of 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline?
2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline has a molecular weight of 341.18 g/mol, XLogP of 5.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline is sourced from PubChem (CID 118449886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).