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

C17H10ClFN2 — CID 57136708

IUPAC6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline
SMILESFc1nc2ccc(Cl)cc2cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H10ClFN2/c18-11-5-6-15-10(7-11)8-13(17(19)21-15)14-9-20-16-4-2-1-3-12(14)16/h1-9,20H
InChIKeyIYIKKQVEKFHZDA-UHFFFAOYSA-N
MW296.73 g/mol
LogP5.18
Rot. Bonds1

About 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline

6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline (PubChem CID 57136708) has the molecular formula C17H10ClFN2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline
PubChem CID57136708
Molecular FormulaC17H10ClFN2
Molecular Weight296.73 g/mol
Exact Mass296.05
IUPAC Name6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline
SMILESFc1nc2ccc(Cl)cc2cc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H10ClFN2/c18-11-5-6-15-10(7-11)8-13(17(19)21-15)14-9-20-16-4-2-1-3-12(14)16/h1-9,20H
InChIKeyIYIKKQVEKFHZDA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
5-Fluoro-1H-indole-3-ethylamine monohydrochloride
CID 197774
5-Chlorotryptamine
CID 77379
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
5-Chloroindole
CID 87110
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
CID 9930376
CID 9930376
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
3-(4-pyridyl)-1H-indole
CID 644354
Gevotroline
CID 60547
5-Chloro-alphamt
CID 12833

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline?
The IUPAC name of 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline (CID 57136708) is 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline.
What is the SMILES notation for 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline?
The canonical SMILES for 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline is Fc1nc2ccc(Cl)cc2cc1-c1c[nH]c2ccccc12.
What is the InChIKey of 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline?
The InChIKey is IYIKKQVEKFHZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2/c18-11-5-6-15-10(7-11)8-13(17(19)21-15)14-9-20-16-4-2-1-3-12(14)16/h1-9,20H.
What are the key properties of 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline?
6-chloro-2-fluoro-3-(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 6-chloro-2-fluoro-3-(1H-indol-3-yl)quinoline is sourced from PubChem (CID 57136708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).