4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline

C54H37FN6 — CID 126544173

IUPAC4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline
SMILESCc1ccc2c(-c3cc(-c4[nH]c5c(C)cc(-c6ccc7ccc(-c8cn(C)c9ccccc89)nc7c6)cc5c4-c4ccc5cc(F)ccc5n4)c4ccccc4n3)c[nH]c2c1
InChIInChI=1S/C54H37FN6/c1-30-12-18-38-42(28-56-49(38)22-30)50-27-40(37-8-4-6-10-45(37)59-50)54-52(47-20-16-34-24-36(55)17-21-44(34)57-47)41-25-35(23-31(2)53(41)60-54)33-14-13-32-15-19-46(58-48(32)26-33)43-29-61(3)51-11-7-5-9-39(43)51/h4-29,56,60H,1-3H3
InChIKeyAKHJLOYSXVYMMF-UHFFFAOYSA-N
MW788.93 g/mol
LogP13.88
Rot. Bonds5

About 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline

4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline (PubChem CID 126544173) has the molecular formula C54H37FN6 and a molecular weight of 788.93 g/mol. Its IUPAC name is 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline
PubChem CID126544173
Molecular FormulaC54H37FN6
Molecular Weight788.93 g/mol
Exact Mass788.31
IUPAC Name4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline
SMILESCc1ccc2c(-c3cc(-c4[nH]c5c(C)cc(-c6ccc7ccc(-c8cn(C)c9ccccc89)nc7c6)cc5c4-c4ccc5cc(F)ccc5n4)c4ccccc4n3)c[nH]c2c1
InChIInChI=1S/C54H37FN6/c1-30-12-18-38-42(28-56-49(38)22-30)50-27-40(37-8-4-6-10-45(37)59-50)54-52(47-20-16-34-24-36(55)17-21-44(34)57-47)41-25-35(23-31(2)53(41)60-54)33-14-13-32-15-19-46(58-48(32)26-33)43-29-61(3)51-11-7-5-9-39(43)51/h4-29,56,60H,1-3H3
InChIKeyAKHJLOYSXVYMMF-UHFFFAOYSA-N
XLogP13.88
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.93
LogP ≤ 513.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline (CID 126544173) is 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline is Cc1ccc2c(-c3cc(-c4[nH]c5c(C)cc(-c6ccc7ccc(-c8cn(C)c9ccccc89)nc7c6)cc5c4-c4ccc5cc(F)ccc5n4)c4ccccc4n3)c[nH]c2c1.
What is the InChIKey of 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline?
The InChIKey is AKHJLOYSXVYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37FN6/c1-30-12-18-38-42(28-56-49(38)22-30)50-27-40(37-8-4-6-10-45(37)59-50)54-52(47-20-16-34-24-36(55)17-21-44(34)57-47)41-25-35(23-31(2)53(41)60-54)33-14-13-32-15-19-46(58-48(32)26-33)43-29-61(3)51-11-7-5-9-39(43)51/h4-29,56,60H,1-3H3.
What are the key properties of 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline?
4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline has a molecular weight of 788.93 g/mol, XLogP of 13.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-fluoroquinolin-2-yl)-7-methyl-5-[2-(1-methylindol-3-yl)quinolin-7-yl]-1H-indol-2-yl]-2-(6-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 126544173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).