4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine

C23H24BrN3O — CID 3331930

IUPAC4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1cc(C)c2[nH]c(-c3ccc(Br)c4cccnc34)c(CCCCN)c2c1
InChIInChI=1S/C23H24BrN3O/c1-14-12-15(28-2)13-19-16(6-3-4-10-25)23(27-21(14)19)18-8-9-20(24)17-7-5-11-26-22(17)18/h5,7-9,11-13,27H,3-4,6,10,25H2,1-2H3
InChIKeyFFXXDYQEGSZDPJ-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.74
Rot. Bonds6

About 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine

4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine (PubChem CID 3331930) has the molecular formula C23H24BrN3O and a molecular weight of 438.37 g/mol. Its IUPAC name is 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine
PubChem CID3331930
Molecular FormulaC23H24BrN3O
Molecular Weight438.37 g/mol
Exact Mass437.11
IUPAC Name4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1cc(C)c2[nH]c(-c3ccc(Br)c4cccnc34)c(CCCCN)c2c1
InChIInChI=1S/C23H24BrN3O/c1-14-12-15(28-2)13-19-16(6-3-4-10-25)23(27-21(14)19)18-8-9-20(24)17-7-5-11-26-22(17)18/h5,7-9,11-13,27H,3-4,6,10,25H2,1-2H3
InChIKeyFFXXDYQEGSZDPJ-UHFFFAOYSA-N
XLogP5.74
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine with MolForge

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Related Compounds

4-[5-methoxy-2-(2-methoxy-3-pyridinyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3380533
4-[2-(5-bromoquinolin-8-yl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 4012728
4-[2-(5-bromoquinolin-8-yl)-5-chloro-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3357448
4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine
CID 3963169
3-(4-aminobutyl)-2-(5-bromoquinolin-8-yl)-7-chloro-1H-indole-4-carboxylic acid
CID 3978721
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
4-[6,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3502542
4-[7-bromo-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3259628
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691
4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3357825
4-[2-(2-methoxy-3-methylphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3991450
4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3434232

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine (CID 3331930) is 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine is COc1cc(C)c2[nH]c(-c3ccc(Br)c4cccnc34)c(CCCCN)c2c1.
What is the InChIKey of 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is FFXXDYQEGSZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O/c1-14-12-15(28-2)13-19-16(6-3-4-10-25)23(27-21(14)19)18-8-9-20(24)17-7-5-11-26-22(17)18/h5,7-9,11-13,27H,3-4,6,10,25H2,1-2H3.
What are the key properties of 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine?
4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 438.37 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3331930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).