N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide

C21H22N2O4 — CID 55725605

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-13(14-11-18(25-2)20(27-4)19(12-14)26-3)23-21(24)16-7-5-9-17-15(16)8-6-10-22-17/h5-13H,1-4H3,(H,23,24)
InChIKeyAEDCUMCOJLNMMG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide

N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide (PubChem CID 55725605) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
PubChem CID55725605
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cccc3ncccc23)cc(OC)c1OC
InChIInChI=1S/C21H22N2O4/c1-13(14-11-18(25-2)20(27-4)19(12-14)26-3)23-21(24)16-7-5-9-17-15(16)8-6-10-22-17/h5-13H,1-4H3,(H,23,24)
InChIKeyAEDCUMCOJLNMMG-UHFFFAOYSA-N
XLogP3.75
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
N-[1-(2-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 78814424
(2R)-2-(quinoline-5-carbonylamino)propanoic acid
CID 54990837
methyl 2-(4-bromophenyl)-2-(quinoline-5-carbonylamino)acetate
CID 60607922
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide (CID 55725605) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide is COc1cc(C(C)NC(=O)c2cccc3ncccc23)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide?
The InChIKey is AEDCUMCOJLNMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(14-11-18(25-2)20(27-4)19(12-14)26-3)23-21(24)16-7-5-9-17-15(16)8-6-10-22-17/h5-13H,1-4H3,(H,23,24).
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 55725605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).