2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide

C34H36N6O2 — CID 15906970

IUPAC2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide
SMILESO=C(NCCNCc1ccc2ccccc2n1)C(Cc1ccccc1)C(=O)NCCNCc1ccc2ccccc2n1
InChIInChI=1S/C34H36N6O2/c41-33(37-20-18-35-23-28-16-14-26-10-4-6-12-31(26)39-28)30(22-25-8-2-1-3-9-25)34(42)38-21-19-36-24-29-17-15-27-11-5-7-13-32(27)40-29/h1-17,30,35-36H,18-24H2,(H,37,41)(H,38,42)
InChIKeyVCQKPCVEZURPFA-UHFFFAOYSA-N
MW560.70 g/mol
LogP3.75
Rot. Bonds14

About 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide

2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide (PubChem CID 15906970) has the molecular formula C34H36N6O2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide.

Molecular Properties

Compound Name2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide
PubChem CID15906970
Molecular FormulaC34H36N6O2
Molecular Weight560.70 g/mol
Exact Mass560.29
IUPAC Name2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide
SMILESO=C(NCCNCc1ccc2ccccc2n1)C(Cc1ccccc1)C(=O)NCCNCc1ccc2ccccc2n1
InChIInChI=1S/C34H36N6O2/c41-33(37-20-18-35-23-28-16-14-26-10-4-6-12-31(26)39-28)30(22-25-8-2-1-3-9-25)34(42)38-21-19-36-24-29-17-15-27-11-5-7-13-32(27)40-29/h1-17,30,35-36H,18-24H2,(H,37,41)(H,38,42)
InChIKeyVCQKPCVEZURPFA-UHFFFAOYSA-N
XLogP3.75
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(quinolin-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115573545
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
2-(2-methylpropoxy)-N-(quinolin-2-ylmethyl)ethanamine
CID 115652347
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
2-methylsulfonyl-N-(2-quinolin-2-ylethyl)propanamide
CID 71938888

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide?
The IUPAC name of 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide (CID 15906970) is 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide.
What is the SMILES notation for 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide?
The canonical SMILES for 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide is O=C(NCCNCc1ccc2ccccc2n1)C(Cc1ccccc1)C(=O)NCCNCc1ccc2ccccc2n1.
What is the InChIKey of 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide?
The InChIKey is VCQKPCVEZURPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O2/c41-33(37-20-18-35-23-28-16-14-26-10-4-6-12-31(26)39-28)30(22-25-8-2-1-3-9-25)34(42)38-21-19-36-24-29-17-15-27-11-5-7-13-32(27)40-29/h1-17,30,35-36H,18-24H2,(H,37,41)(H,38,42).
What are the key properties of 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide?
2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide has a molecular weight of 560.70 g/mol, XLogP of 3.75, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N'-bis[2-(quinolin-2-ylmethylamino)ethyl]propanediamide is sourced from PubChem (CID 15906970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).