5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide

C26H30N4O2 — CID 155515143

IUPAC5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCCCNCc1ccc(O)c2ncccc12
InChIInChI=1S/C26H30N4O2/c1-18-20(22-7-2-3-9-23(22)30-18)13-16-28-25(32)10-4-5-14-27-17-19-11-12-24(31)26-21(19)8-6-15-29-26/h2-3,6-9,11-12,15,27,30-31H,4-5,10,13-14,16-17H2,1H3,(H,28,32)
InChIKeyWDBMDRGIDBSRRZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.35
Rot. Bonds10

About 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide

5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide (PubChem CID 155515143) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide
PubChem CID155515143
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCCCNCc1ccc(O)c2ncccc12
InChIInChI=1S/C26H30N4O2/c1-18-20(22-7-2-3-9-23(22)30-18)13-16-28-25(32)10-4-5-14-27-17-19-11-12-24(31)26-21(19)8-6-15-29-26/h2-3,6-9,11-12,15,27,30-31H,4-5,10,13-14,16-17H2,1H3,(H,28,32)
InChIKeyWDBMDRGIDBSRRZ-UHFFFAOYSA-N
XLogP4.35
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide?
The IUPAC name of 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide (CID 155515143) is 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide?
The canonical SMILES for 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide is Cc1[nH]c2ccccc2c1CCNC(=O)CCCCNCc1ccc(O)c2ncccc12.
What is the InChIKey of 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide?
The InChIKey is WDBMDRGIDBSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-20(22-7-2-3-9-23(22)30-18)13-16-28-25(32)10-4-5-14-27-17-19-11-12-24(31)26-21(19)8-6-15-29-26/h2-3,6-9,11-12,15,27,30-31H,4-5,10,13-14,16-17H2,1H3,(H,28,32).
What are the key properties of 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide?
5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide has a molecular weight of 430.55 g/mol, XLogP of 4.35, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 155515143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).