N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide

C21H21N3O3 — CID 108948737

IUPACN-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C21H21N3O3/c1-27-17-8-2-5-15(13-17)10-12-22-19(25)14-20(26)24-18-9-3-6-16-7-4-11-23-21(16)18/h2-9,11,13H,10,12,14H2,1H3,(H,22,25)(H,24,26)
InChIKeyFAZSPFVXUJZXST-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide

N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide (PubChem CID 108948737) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
PubChem CID108948737
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
SMILESCOc1cccc(CCNC(=O)CC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C21H21N3O3/c1-27-17-8-2-5-15(13-17)10-12-22-19(25)14-20(26)24-18-9-3-6-16-7-4-11-23-21(16)18/h2-9,11,13H,10,12,14H2,1H3,(H,22,25)(H,24,26)
InChIKeyFAZSPFVXUJZXST-UHFFFAOYSA-N
XLogP2.93
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948679
ethyl 2-[[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948749
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-quinolin-8-yloxamide
CID 108506300
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide
CID 102136704
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide (CID 108948737) is N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide is COc1cccc(CCNC(=O)CC(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide?
The InChIKey is FAZSPFVXUJZXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-17-8-2-5-15(13-17)10-12-22-19(25)14-20(26)24-18-9-3-6-16-7-4-11-23-21(16)18/h2-9,11,13H,10,12,14H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide?
N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide has a molecular weight of 363.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide is sourced from PubChem (CID 108948737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).