2-(5,7-difluoro-1H-indol-3-yl)quinoline

C17H10F2N2 — CID 118449032

IUPAC2-(5,7-difluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C17H10F2N2/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
InChIKeyRHDZQWLYYDUZBO-UHFFFAOYSA-N
MW280.28 g/mol
LogP4.66
Rot. Bonds1

About 2-(5,7-difluoro-1H-indol-3-yl)quinoline

2-(5,7-difluoro-1H-indol-3-yl)quinoline (PubChem CID 118449032) has the molecular formula C17H10F2N2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)quinoline
PubChem CID118449032
Molecular FormulaC17H10F2N2
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)quinoline
SMILESFc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C17H10F2N2/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
InChIKeyRHDZQWLYYDUZBO-UHFFFAOYSA-N
XLogP4.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Ellipticine
CID 3213

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)quinoline?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)quinoline (CID 118449032) is 2-(5,7-difluoro-1H-indol-3-yl)quinoline.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)quinoline?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)quinoline is Fc1cc(F)c2[nH]cc(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)quinoline?
The InChIKey is RHDZQWLYYDUZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2/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-(5,7-difluoro-1H-indol-3-yl)quinoline?
2-(5,7-difluoro-1H-indol-3-yl)quinoline has a molecular weight of 280.28 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).