2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline

C17H10ClFN2 — CID 118449718

IUPAC2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12
InChIInChI=1S/C17H10ClFN2/c18-11-7-12-13(9-20-17(12)14(19)8-11)16-6-5-10-3-1-2-4-15(10)21-16/h1-9,20H
InChIKeyNHHZNMBQUOZYOU-UHFFFAOYSA-N
MW296.73 g/mol
LogP5.18
Rot. Bonds1

About 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline

2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline (PubChem CID 118449718) has the molecular formula C17H10ClFN2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline
PubChem CID118449718
Molecular FormulaC17H10ClFN2
Molecular Weight296.73 g/mol
Exact Mass296.05
IUPAC Name2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12
InChIInChI=1S/C17H10ClFN2/c18-11-7-12-13(9-20-17(12)14(19)8-11)16-6-5-10-3-1-2-4-15(10)21-16/h1-9,20H
InChIKeyNHHZNMBQUOZYOU-UHFFFAOYSA-N
XLogP5.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline (CID 118449718) is 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline is Fc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12.
What is the InChIKey of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline?
The InChIKey is NHHZNMBQUOZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2/c18-11-7-12-13(9-20-17(12)14(19)8-11)16-6-5-10-3-1-2-4-15(10)21-16/h1-9,20H.
What are the key properties of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline?
2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline has a molecular weight of 296.73 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).