5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline

C17H8ClF3N2 — CID 118449738

IUPAC5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F
InChIInChI=1S/C17H8ClF3N2/c18-10-2-1-3-13-8(10)4-5-14(23-13)9-7-22-17-12(20)6-11(19)16(21)15(9)17/h1-7,22H
InChIKeyVSZPCZDXTTYUSO-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.45
Rot. Bonds1

About 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline

5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline (PubChem CID 118449738) has the molecular formula C17H8ClF3N2 and a molecular weight of 332.71 g/mol. Its IUPAC name is 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
PubChem CID118449738
Molecular FormulaC17H8ClF3N2
Molecular Weight332.71 g/mol
Exact Mass332.03
IUPAC Name5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F
InChIInChI=1S/C17H8ClF3N2/c18-10-2-1-3-13-8(10)4-5-14(23-13)9-7-22-17-12(20)6-11(19)16(21)15(9)17/h1-7,22H
InChIKeyVSZPCZDXTTYUSO-UHFFFAOYSA-N
XLogP5.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline (CID 118449738) is 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline is Fc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F.
What is the InChIKey of 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline?
The InChIKey is VSZPCZDXTTYUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClF3N2/c18-10-2-1-3-13-8(10)4-5-14(23-13)9-7-22-17-12(20)6-11(19)16(21)15(9)17/h1-7,22H.
What are the key properties of 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline?
5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline has a molecular weight of 332.71 g/mol, XLogP of 5.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).