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

C26H31N3O — CID 3357825

IUPAC4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1ccc2[nH]c(-c3ccc(OC)c4ncccc34)c(CCCCN)c2c1
InChIInChI=1S/C26H31N3O/c1-4-17(2)18-10-12-23-22(16-18)20(8-5-6-14-27)25(29-23)21-11-13-24(30-3)26-19(21)9-7-15-28-26/h7,9-13,15-17,29H,4-6,8,14,27H2,1-3H3
InChIKeySTDHZNBCCIDOPQ-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.19
Rot. Bonds8

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

4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3357825) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
PubChem CID3357825
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1ccc2[nH]c(-c3ccc(OC)c4ncccc34)c(CCCCN)c2c1
InChIInChI=1S/C26H31N3O/c1-4-17(2)18-10-12-23-22(16-18)20(8-5-6-14-27)25(29-23)21-11-13-24(30-3)26-19(21)9-7-15-28-26/h7,9-13,15-17,29H,4-6,8,14,27H2,1-3H3
InChIKeySTDHZNBCCIDOPQ-UHFFFAOYSA-N
XLogP6.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

4-[2-(5-bromoquinolin-8-yl)-5-butan-2-yl-1H-indol-3-yl]butan-1-amine
CID 3963169
4-[5-butan-2-yl-2-(2-iodophenyl)-1H-indol-3-yl]butan-1-amine
CID 3375410
4-[6,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3502542
4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4281655
4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4310170
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
4-[5-chloro-2-(6-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 5139293
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271
4-[2-(8-ethoxyquinolin-5-yl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3899976
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
4-[2-(2-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]butan-1-amine
CID 4237687
4-[5-ethyl-2-(2-methoxy-5-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3901641

Frequently Asked Questions

What is the IUPAC name of 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine (CID 3357825) is 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine is CCC(C)c1ccc2[nH]c(-c3ccc(OC)c4ncccc34)c(CCCCN)c2c1.
What is the InChIKey of 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is STDHZNBCCIDOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-4-17(2)18-10-12-23-22(16-18)20(8-5-6-14-27)25(29-23)21-11-13-24(30-3)26-19(21)9-7-15-28-26/h7,9-13,15-17,29H,4-6,8,14,27H2,1-3H3.
What are the key properties of 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine?
4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 401.55 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3357825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).