N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide

C20H19N3O2 — CID 108946174

IUPACN'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H19N3O2/c1-23(14-15-7-3-2-4-8-15)19(25)13-18(24)22-17-11-5-9-16-10-6-12-21-20(16)17/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyVSMMJYNRJVURMA-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.22
Rot. Bonds5

About N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide

N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide (PubChem CID 108946174) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
PubChem CID108946174
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
SMILESCN(Cc1ccccc1)C(=O)CC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H19N3O2/c1-23(14-15-7-3-2-4-8-15)19(25)13-18(24)22-17-11-5-9-16-10-6-12-21-20(16)17/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyVSMMJYNRJVURMA-UHFFFAOYSA-N
XLogP3.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
CID 163364528
N-quinolin-8-ylhex-3-enamide
CID 151663814
2-[2-[[2-oxo-2-(quinolin-8-ylamino)ethyl]-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]-N-quinolin-8-ylacetamide
CID 101498940
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide?
The IUPAC name of N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide (CID 108946174) is N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide is CN(Cc1ccccc1)C(=O)CC(=O)Nc1cccc2cccnc12.
What is the InChIKey of N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide?
The InChIKey is VSMMJYNRJVURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(14-15-7-3-2-4-8-15)19(25)13-18(24)22-17-11-5-9-16-10-6-12-21-20(16)17/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide?
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide has a molecular weight of 333.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide is sourced from PubChem (CID 108946174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).