N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide

C21H21N3O5 — CID 108956737

IUPACN-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-27-16-10-14(11-17(28-2)21(16)29-3)23-18(25)12-19(26)24-15-8-4-6-13-7-5-9-22-20(13)15/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRCBQITGWKRXOPS-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.23
Rot. Bonds7

About N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide

N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide (PubChem CID 108956737) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
PubChem CID108956737
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-27-16-10-14(11-17(28-2)21(16)29-3)23-18(25)12-19(26)24-15-8-4-6-13-7-5-9-22-20(13)15/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRCBQITGWKRXOPS-UHFFFAOYSA-N
XLogP3.23
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
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
2-(2,4-dimethoxy-3-methylphenyl)-N-quinolin-8-ylacetamide
CID 110769870
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978120
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The IUPAC name of N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide (CID 108956737) is N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide.
What is the SMILES notation for N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The canonical SMILES for N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide is COc1cc(NC(=O)CC(=O)Nc2cccc3cccnc23)cc(OC)c1OC.
What is the InChIKey of N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
The InChIKey is RCBQITGWKRXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-27-16-10-14(11-17(28-2)21(16)29-3)23-18(25)12-19(26)24-15-8-4-6-13-7-5-9-22-20(13)15/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide?
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide has a molecular weight of 395.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide is sourced from PubChem (CID 108956737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).