N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide

C20H19N3O4 — CID 108956009

IUPACN-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H19N3O4/c1-26-16-9-8-14(11-17(16)27-2)22-18(24)12-19(25)23-15-7-3-5-13-6-4-10-21-20(13)15/h3-11H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZGQLJLAJGBSGSB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.22
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide

N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide (PubChem CID 108956009) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
PubChem CID108956009
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C20H19N3O4/c1-26-16-9-8-14(11-17(16)27-2)22-18(24)12-19(25)23-15-7-3-5-13-6-4-10-21-20(13)15/h3-11H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZGQLJLAJGBSGSB-UHFFFAOYSA-N
XLogP3.22
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide (CID 108956009) is N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide is COc1ccc(NC(=O)CC(=O)Nc2cccc3cccnc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide?
The InChIKey is ZGQLJLAJGBSGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-16-9-8-14(11-17(16)27-2)22-18(24)12-19(25)23-15-7-3-5-13-6-4-10-21-20(13)15/h3-11H,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide?
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide has a molecular weight of 365.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide is sourced from PubChem (CID 108956009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).