2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane

C36H25ClF4N4 — CID 144941292

IUPAC2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane
SMILESCC.Fc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12.Fc1cc2[nH]cc(-c3ccc4c(F)cccc4n3)c2cc1F
InChIInChI=1S/C17H10ClFN2.C17H9F3N2.C2H6/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;18-12-2-1-3-15-9(12)4-5-16(22-15)11-8-21-17-7-14(20)13(19)6-10(11)17;1-2/h1-9,20H;1-8,21H;1-2H3
InChIKeyLRTFHJIQONKQCE-UHFFFAOYSA-N
MW625.07 g/mol
LogP11.00
Rot. Bonds2

About 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane

2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane (PubChem CID 144941292) has the molecular formula C36H25ClF4N4 and a molecular weight of 625.07 g/mol. Its IUPAC name is 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane.

Molecular Properties

Compound Name2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane
PubChem CID144941292
Molecular FormulaC36H25ClF4N4
Molecular Weight625.07 g/mol
Exact Mass624.17
IUPAC Name2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane
SMILESCC.Fc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12.Fc1cc2[nH]cc(-c3ccc4c(F)cccc4n3)c2cc1F
InChIInChI=1S/C17H10ClFN2.C17H9F3N2.C2H6/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;18-12-2-1-3-15-9(12)4-5-16(22-15)11-8-21-17-7-14(20)13(19)6-10(11)17;1-2/h1-9,20H;1-8,21H;1-2H3
InChIKeyLRTFHJIQONKQCE-UHFFFAOYSA-N
XLogP11.00
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.07
LogP ≤ 511.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
(2R)-4-{6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}-1-(1H-indol-3-yl)butan-2-amine
CID 10237709
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
8-[4-[4-(5-chloro-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962581
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole
CID 511482
3-[[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
CID 9885485
1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
5-Chloro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 10113692
5-Chloro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10340978
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chloro-1H-indole
CID 44413379

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane?
The IUPAC name of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane (CID 144941292) is 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane.
What is the SMILES notation for 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane?
The canonical SMILES for 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane is CC.Fc1cc(Cl)cc2c(-c3ccc4ccccc4n3)c[nH]c12.Fc1cc2[nH]cc(-c3ccc4c(F)cccc4n3)c2cc1F.
What is the InChIKey of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane?
The InChIKey is LRTFHJIQONKQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2.C17H9F3N2.C2H6/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;18-12-2-1-3-15-9(12)4-5-16(22-15)11-8-21-17-7-14(20)13(19)6-10(11)17;1-2/h1-9,20H;1-8,21H;1-2H3.
What are the key properties of 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane?
2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane has a molecular weight of 625.07 g/mol, XLogP of 11.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-fluoro-1H-indol-3-yl)quinoline;2-(5,6-difluoro-1H-indol-3-yl)-5-fluoroquinoline;ethane is sourced from PubChem (CID 144941292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).