1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone

C22H28N2O4 — CID 119106846

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone
SMILESCCOc1c(OC)cc(CNCC(=O)N2CCCc3ccccc32)cc1OC
InChIInChI=1S/C22H28N2O4/c1-4-28-22-19(26-2)12-16(13-20(22)27-3)14-23-15-21(25)24-11-7-9-17-8-5-6-10-18(17)24/h5-6,8,10,12-13,23H,4,7,9,11,14-15H2,1-3H3
InChIKeyWLFXIXRREOUBSK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.17
Rot. Bonds8

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone (PubChem CID 119106846) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone
PubChem CID119106846
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone
SMILESCCOc1c(OC)cc(CNCC(=O)N2CCCc3ccccc32)cc1OC
InChIInChI=1S/C22H28N2O4/c1-4-28-22-19(26-2)12-16(13-20(22)27-3)14-23-15-21(25)24-11-7-9-17-8-5-6-10-18(17)24/h5-6,8,10,12-13,23H,4,7,9,11,14-15H2,1-3H3
InChIKeyWLFXIXRREOUBSK-UHFFFAOYSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376786
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51160617
4-[[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]methyl]benzoic acid
CID 122035247
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111376490
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000642
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108953427
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131
2-[[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129022

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone (CID 119106846) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone is CCOc1c(OC)cc(CNCC(=O)N2CCCc3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone?
The InChIKey is WLFXIXRREOUBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-28-22-19(26-2)12-16(13-20(22)27-3)14-23-15-21(25)24-11-7-9-17-8-5-6-10-18(17)24/h5-6,8,10,12-13,23H,4,7,9,11,14-15H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone has a molecular weight of 384.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 119106846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).