N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine

C32H36N4O — CID 22640708

IUPACN-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(CNc1cc(OC)c2ccccc2n1)CNC(Cc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C32H36N4O/c1-3-11-24(21-35-32-19-31(37-2)26-15-8-10-17-29(26)36-32)20-33-30(18-23-12-5-4-6-13-23)27-22-34-28-16-9-7-14-25(27)28/h4-10,12-17,19,22,24,30,33-34H,3,11,18,20-21H2,1-2H3,(H,35,36)
InChIKeyCKYUMAKOBJEGQO-UHFFFAOYSA-N
MW492.67 g/mol
LogP7.13
Rot. Bonds12

About N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine

N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine (PubChem CID 22640708) has the molecular formula C32H36N4O and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine
PubChem CID22640708
Molecular FormulaC32H36N4O
Molecular Weight492.67 g/mol
Exact Mass492.29
IUPAC NameN-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(CNc1cc(OC)c2ccccc2n1)CNC(Cc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C32H36N4O/c1-3-11-24(21-35-32-19-31(37-2)26-15-8-10-17-29(26)36-32)20-33-30(18-23-12-5-4-6-13-23)27-22-34-28-16-9-7-14-25(27)28/h4-10,12-17,19,22,24,30,33-34H,3,11,18,20-21H2,1-2H3,(H,35,36)
InChIKeyCKYUMAKOBJEGQO-UHFFFAOYSA-N
XLogP7.13
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 57.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine (CID 22640708) is N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine is CCCC(CNc1cc(OC)c2ccccc2n1)CNC(Cc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
The InChIKey is CKYUMAKOBJEGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O/c1-3-11-24(21-35-32-19-31(37-2)26-15-8-10-17-29(26)36-32)20-33-30(18-23-12-5-4-6-13-23)27-22-34-28-16-9-7-14-25(27)28/h4-10,12-17,19,22,24,30,33-34H,3,11,18,20-21H2,1-2H3,(H,35,36).
What are the key properties of N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine has a molecular weight of 492.67 g/mol, XLogP of 7.13, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)-2-phenylethyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 22640708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).