8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline

C18H13BrN2 — CID 118449035

IUPAC8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12
InChIInChI=1S/C18H13BrN2/c1-11-4-2-6-13-14(10-20-17(11)13)16-9-8-12-5-3-7-15(19)18(12)21-16/h2-10,20H,1H3
InChIKeyZKCAIYVGVBPPKK-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.45
Rot. Bonds1

About 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline

8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 118449035) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline
PubChem CID118449035
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12
InChIInChI=1S/C18H13BrN2/c1-11-4-2-6-13-14(10-20-17(11)13)16-9-8-12-5-3-7-15(19)18(12)21-16/h2-10,20H,1H3
InChIKeyZKCAIYVGVBPPKK-UHFFFAOYSA-N
XLogP5.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline (CID 118449035) is 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline is Cc1cccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12.
What is the InChIKey of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline?
The InChIKey is ZKCAIYVGVBPPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c1-11-4-2-6-13-14(10-20-17(11)13)16-9-8-12-5-3-7-15(19)18(12)21-16/h2-10,20H,1H3.
What are the key properties of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline?
8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline has a molecular weight of 337.22 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 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).