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

C17H10ClFN2 — CID 118449830

IUPAC2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C17H10ClFN2/c18-14-8-11(19)7-12-13(9-20-17(12)14)16-6-5-10-3-1-2-4-15(10)21-16/h1-9,20H
InChIKeyKPQUVEANPXKKDV-UHFFFAOYSA-N
MW296.73 g/mol
LogP5.18
Rot. Bonds1

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

2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline (PubChem CID 118449830) has the molecular formula C17H10ClFN2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline
PubChem CID118449830
Molecular FormulaC17H10ClFN2
Molecular Weight296.73 g/mol
Exact Mass296.05
IUPAC Name2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C17H10ClFN2/c18-14-8-11(19)7-12-13(9-20-17(12)14)16-6-5-10-3-1-2-4-15(10)21-16/h1-9,20H
InChIKeyKPQUVEANPXKKDV-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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Related Compounds

6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
5-Chlorotryptamine
CID 77379
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
Gevotroline
CID 60547
5-Chloro-alphamt
CID 12833
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
CID 9930376
CID 9930376
2-(5-fluoro-7-methyl-1H-indol-3-yl)quinoline
CID 118449872
Gevotroline Hydrochloride
CID 60546
Tepirindole
CID 68915
Carvotroline Hydrochloride
CID 72037
Carvotroline
CID 72038

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline (CID 118449830) is 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline is Fc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline?
The InChIKey is KPQUVEANPXKKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2/c18-14-8-11(19)7-12-13(9-20-17(12)14)16-6-5-10-3-1-2-4-15(10)21-16/h1-9,20H.
What are the key properties of 2-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline?
2-(7-chloro-5-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-(7-chloro-5-fluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).