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

C25H28BrN3 — CID 3963169

IUPAC4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1ccc2[nH]c(-c3ccc(Br)c4cccnc34)c(CCCCN)c2c1
InChIInChI=1S/C25H28BrN3/c1-3-16(2)17-9-12-23-21(15-17)18(7-4-5-13-27)25(29-23)20-10-11-22(26)19-8-6-14-28-24(19)20/h6,8-12,14-16,29H,3-5,7,13,27H2,1-2H3
InChIKeyCUFJOJOMYXRYFK-UHFFFAOYSA-N
MW450.42 g/mol
LogP6.94
Rot. Bonds7

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

4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine (PubChem CID 3963169) has the molecular formula C25H28BrN3 and a molecular weight of 450.42 g/mol. Its IUPAC name is 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine
PubChem CID3963169
Molecular FormulaC25H28BrN3
Molecular Weight450.42 g/mol
Exact Mass449.15
IUPAC Name4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1ccc2[nH]c(-c3ccc(Br)c4cccnc34)c(CCCCN)c2c1
InChIInChI=1S/C25H28BrN3/c1-3-16(2)17-9-12-23-21(15-17)18(7-4-5-13-27)25(29-23)20-10-11-22(26)19-8-6-14-28-24(19)20/h6,8-12,14-16,29H,3-5,7,13,27H2,1-2H3
InChIKeyCUFJOJOMYXRYFK-UHFFFAOYSA-N
XLogP6.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3357825
4-[5-butan-2-yl-2-(2-iodophenyl)-1H-indol-3-yl]butan-1-amine
CID 3375410
4-[2-(5-bromoquinolin-8-yl)-5-methoxy-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3331930
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-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
4-[5-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3252240
3-(4-aminobutyl)-2-(5-bromoquinolin-8-yl)-7-chloro-1H-indole-4-carboxylic acid
CID 3978721
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271
4-(2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
CID 3891095
4-[5-butyl-2-(4-methylnaphthalen-1-yl)-1H-indol-3-yl]butan-1-amine
CID 5010457

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine (CID 3963169) is 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine is CCC(C)c1ccc2[nH]c(-c3ccc(Br)c4cccnc34)c(CCCCN)c2c1.
What is the InChIKey of 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine?
The InChIKey is CUFJOJOMYXRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3/c1-3-16(2)17-9-12-23-21(15-17)18(7-4-5-13-27)25(29-23)20-10-11-22(26)19-8-6-14-28-24(19)20/h6,8-12,14-16,29H,3-5,7,13,27H2,1-2H3.
What are the key properties of 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine?
4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine has a molecular weight of 450.42 g/mol, XLogP of 6.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3963169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).