2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide

C25H28N2O3 — CID 56543430

IUPAC2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C25H28N2O3/c1-29-21-11-12-22-19(16-21)7-2-8-20(22)17-24(28)26-14-5-15-30-23-10-3-6-18-9-4-13-27-25(18)23/h3-4,6,9-13,16,20H,2,5,7-8,14-15,17H2,1H3,(H,26,28)
InChIKeyFKXSDSHFESATHC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.64
Rot. Bonds8

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide (PubChem CID 56543430) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
PubChem CID56543430
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C25H28N2O3/c1-29-21-11-12-22-19(16-21)7-2-8-20(22)17-24(28)26-14-5-15-30-23-10-3-6-18-9-4-13-27-25(18)23/h3-4,6,9-13,16,20H,2,5,7-8,14-15,17H2,1H3,(H,26,28)
InChIKeyFKXSDSHFESATHC-UHFFFAOYSA-N
XLogP4.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 86839663
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535016
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535216
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
CID 56534694
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 56585798
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
CID 56585573

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide (CID 56543430) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide is COc1ccc2c(c1)CCCC2CC(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The InChIKey is FKXSDSHFESATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-21-11-12-22-19(16-21)7-2-8-20(22)17-24(28)26-14-5-15-30-23-10-3-6-18-9-4-13-27-25(18)23/h3-4,6,9-13,16,20H,2,5,7-8,14-15,17H2,1H3,(H,26,28).
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide is sourced from PubChem (CID 56543430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).