N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine

C32H36N4O — CID 10185017

IUPACN-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(CNCc1cn(Cc2ccccc2)c2ccccc12)CNc1cc(OC)c2ccccc2n1
InChIInChI=1S/C32H36N4O/c1-3-11-25(20-34-32-18-31(37-2)28-15-7-9-16-29(28)35-32)19-33-21-26-23-36(22-24-12-5-4-6-13-24)30-17-10-8-14-27(26)30/h4-10,12-18,23,25,33H,3,11,19-22H2,1-2H3,(H,34,35)
InChIKeyADAMUXSMWKEOAG-UHFFFAOYSA-N
MW492.67 g/mol
LogP6.86
Rot. Bonds12

About N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine

N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine (PubChem CID 10185017) has the molecular formula C32H36N4O and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine
PubChem CID10185017
Molecular FormulaC32H36N4O
Molecular Weight492.67 g/mol
Exact Mass492.29
IUPAC NameN-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine
SMILESCCCC(CNCc1cn(Cc2ccccc2)c2ccccc12)CNc1cc(OC)c2ccccc2n1
InChIInChI=1S/C32H36N4O/c1-3-11-25(20-34-32-18-31(37-2)28-15-7-9-16-29(28)35-32)19-33-21-26-23-36(22-24-12-5-4-6-13-24)30-17-10-8-14-27(26)30/h4-10,12-18,23,25,33H,3,11,19-22H2,1-2H3,(H,34,35)
InChIKeyADAMUXSMWKEOAG-UHFFFAOYSA-N
XLogP6.86
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine (CID 10185017) is N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine is CCCC(CNCc1cn(Cc2ccccc2)c2ccccc12)CNc1cc(OC)c2ccccc2n1.
What is the InChIKey of N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
The InChIKey is ADAMUXSMWKEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O/c1-3-11-25(20-34-32-18-31(37-2)28-15-7-9-16-29(28)35-32)19-33-21-26-23-36(22-24-12-5-4-6-13-24)30-17-10-8-14-27(26)30/h4-10,12-18,23,25,33H,3,11,19-22H2,1-2H3,(H,34,35).
What are the key properties of N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine?
N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine has a molecular weight of 492.67 g/mol, XLogP of 6.86, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindol-3-yl)methyl]-N'-(4-methoxyquinolin-2-yl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 10185017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).