(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone

C28H37NO4 — CID 22491182

IUPAC(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone
SMILESCCC1CCc2cc(C3CCC(OC)CC3C(=O)c3cc(OC)ccc3OC)ccc2N1C
InChIInChI=1S/C28H37NO4/c1-6-20-9-7-19-15-18(8-13-26(19)29(20)2)23-12-10-21(31-3)16-24(23)28(30)25-17-22(32-4)11-14-27(25)33-5/h8,11,13-15,17,20-21,23-24H,6-7,9-10,12,16H2,1-5H3
InChIKeyQICAGUNZTJOFPT-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.65
Rot. Bonds7

About (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone

(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone (PubChem CID 22491182) has the molecular formula C28H37NO4 and a molecular weight of 451.61 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone
PubChem CID22491182
Molecular FormulaC28H37NO4
Molecular Weight451.61 g/mol
Exact Mass451.27
IUPAC Name(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone
SMILESCCC1CCc2cc(C3CCC(OC)CC3C(=O)c3cc(OC)ccc3OC)ccc2N1C
InChIInChI=1S/C28H37NO4/c1-6-20-9-7-19-15-18(8-13-26(19)29(20)2)23-12-10-21(31-3)16-24(23)28(30)25-17-22(32-4)11-14-27(25)33-5/h8,11,13-15,17,20-21,23-24H,6-7,9-10,12,16H2,1-5H3
InChIKeyQICAGUNZTJOFPT-UHFFFAOYSA-N
XLogP5.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethoxyphenyl)-[2-(3-hydroxy-4-methylphenyl)-5-methoxycyclohexyl]methanone
CID 22491293
[2-(4-ethoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491332
(2,5-dimethoxyphenyl)-[2-(4-fluoro-3-hydroxyphenyl)cyclopropyl]methanone
CID 22491220
[2-(3-hydroxy-4-methoxyphenyl)-5-methoxycyclohexyl]-(3,4,5-trimethoxyphenyl)methanone
CID 22491270
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
(2,5-dimethoxyphenyl)-(oxiran-2-yl)methanone
CID 116826400
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
2-bicyclo[2.2.1]heptanyl-(2,5-dimethoxyphenyl)methanone
CID 61364147
[5-[2-(2,5-dimethoxybenzoyl)cyclohexyl]-2-fluorophenoxy] dihydrogen phosphate
CID 87975005
(2,5-dimethoxyphenyl)-[3-(4-ethoxyphenyl)-2,2-dimethylcyclopropyl]methanone;(2,5-dimethoxyphenyl)-[3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]methanone
CID 162254995
[2,2-dichloro-3-(4-ethoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone;[2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-(2,5-dimethoxyphenyl)methanone
CID 159050784
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663278

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone (CID 22491182) is (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone is CCC1CCc2cc(C3CCC(OC)CC3C(=O)c3cc(OC)ccc3OC)ccc2N1C.
What is the InChIKey of (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone?
The InChIKey is QICAGUNZTJOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO4/c1-6-20-9-7-19-15-18(8-13-26(19)29(20)2)23-12-10-21(31-3)16-24(23)28(30)25-17-22(32-4)11-14-27(25)33-5/h8,11,13-15,17,20-21,23-24H,6-7,9-10,12,16H2,1-5H3.
What are the key properties of (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone?
(2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone has a molecular weight of 451.61 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[2-(2-ethyl-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxycyclohexyl]methanone is sourced from PubChem (CID 22491182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).