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

C21H22N2O4 — CID 26123575

IUPACN-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-17-12-14(13-18(26-2)21(17)27-3)9-10-19(24)23-16-8-4-6-15-7-5-11-22-20(15)16/h4-8,11-13H,9-10H2,1-3H3,(H,23,24)
InChIKeySQNQFNUXPBOERD-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.83
Rot. Bonds7

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

N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 26123575) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID26123575
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc3cccnc23)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-25-17-12-14(13-18(26-2)21(17)27-3)9-10-19(24)23-16-8-4-6-15-7-5-11-22-20(15)16/h4-8,11-13H,9-10H2,1-3H3,(H,23,24)
InChIKeySQNQFNUXPBOERD-UHFFFAOYSA-N
XLogP3.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
2-(2,4-dimethoxy-3-methylphenyl)-N-quinolin-8-ylacetamide
CID 110769870
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
N-quinolin-5-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8873348
N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109040020

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 26123575) is N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2cccc3cccnc23)cc(OC)c1OC.
What is the InChIKey of N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is SQNQFNUXPBOERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-17-12-14(13-18(26-2)21(17)27-3)9-10-19(24)23-16-8-4-6-15-7-5-11-22-20(15)16/h4-8,11-13H,9-10H2,1-3H3,(H,23,24).
What are the key properties of N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide?
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 26123575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).