2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline

C36H23F2N3 — CID 126544209

IUPAC2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline
SMILESCc1cccc2c(-c3cc(-c4cc(-c5c[nH]c6cc(F)ccc56)nc5ccccc45)c4cccc(F)c4c3)c[nH]c12
InChIInChI=1S/C36H23F2N3/c1-20-6-4-9-26-30(18-40-36(20)26)21-14-27(23-8-5-10-32(38)29(23)15-21)28-17-35(41-33-11-3-2-7-24(28)33)31-19-39-34-16-22(37)12-13-25(31)34/h2-19,39-40H,1H3
InChIKeyDCWCGCHHDNWDTE-UHFFFAOYSA-N
MW535.60 g/mol
LogP9.94
Rot. Bonds3

About 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline

2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline (PubChem CID 126544209) has the molecular formula C36H23F2N3 and a molecular weight of 535.60 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline
PubChem CID126544209
Molecular FormulaC36H23F2N3
Molecular Weight535.60 g/mol
Exact Mass535.19
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline
SMILESCc1cccc2c(-c3cc(-c4cc(-c5c[nH]c6cc(F)ccc56)nc5ccccc45)c4cccc(F)c4c3)c[nH]c12
InChIInChI=1S/C36H23F2N3/c1-20-6-4-9-26-30(18-40-36(20)26)21-14-27(23-8-5-10-32(38)29(23)15-21)28-17-35(41-33-11-3-2-7-24(28)33)31-19-39-34-16-22(37)12-13-25(31)34/h2-19,39-40H,1H3
InChIKeyDCWCGCHHDNWDTE-UHFFFAOYSA-N
XLogP9.94
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline (CID 126544209) is 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline is Cc1cccc2c(-c3cc(-c4cc(-c5c[nH]c6cc(F)ccc56)nc5ccccc45)c4cccc(F)c4c3)c[nH]c12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline?
The InChIKey is DCWCGCHHDNWDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23F2N3/c1-20-6-4-9-26-30(18-40-36(20)26)21-14-27(23-8-5-10-32(38)29(23)15-21)28-17-35(41-33-11-3-2-7-24(28)33)31-19-39-34-16-22(37)12-13-25(31)34/h2-19,39-40H,1H3.
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline?
2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline has a molecular weight of 535.60 g/mol, XLogP of 9.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-4-[5-fluoro-3-(7-methyl-1H-indol-3-yl)naphthalen-1-yl]quinoline is sourced from PubChem (CID 126544209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).