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

C24H26N4O2 — CID 155528661

IUPAC3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCNCc1ccc(O)c2ncccc12
InChIInChI=1S/C24H26N4O2/c1-16-18(20-5-2-3-7-21(20)28-16)10-14-26-23(30)11-13-25-15-17-8-9-22(29)24-19(17)6-4-12-27-24/h2-9,12,25,28-29H,10-11,13-15H2,1H3,(H,26,30)
InChIKeyFRMHTXAQVDEITF-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.57
Rot. Bonds8

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

3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (PubChem CID 155528661) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
PubChem CID155528661
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCNCc1ccc(O)c2ncccc12
InChIInChI=1S/C24H26N4O2/c1-16-18(20-5-2-3-7-21(20)28-16)10-14-26-23(30)11-13-25-15-17-8-9-22(29)24-19(17)6-4-12-27-24/h2-9,12,25,28-29H,10-11,13-15H2,1H3,(H,26,30)
InChIKeyFRMHTXAQVDEITF-UHFFFAOYSA-N
XLogP3.57
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.57
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 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide (CID 155528661) is 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is Cc1[nH]c2ccccc2c1CCNC(=O)CCNCc1ccc(O)c2ncccc12.
What is the InChIKey of 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is FRMHTXAQVDEITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-18(20-5-2-3-7-21(20)28-16)10-14-26-23(30)11-13-25-15-17-8-9-22(29)24-19(17)6-4-12-27-24/h2-9,12,25,28-29H,10-11,13-15H2,1H3,(H,26,30).
What are the key properties of 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide?
3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 402.50 g/mol, XLogP of 3.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 155528661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).