N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide

C25H30N4O2 — CID 134334323

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide
SMILESCN(C)c1ccc2cccc(OCC(=O)NCCCN3CCc4ccccc4C3)c2n1
InChIInChI=1S/C25H30N4O2/c1-28(2)23-12-11-20-9-5-10-22(25(20)27-23)31-18-24(30)26-14-6-15-29-16-13-19-7-3-4-8-21(19)17-29/h3-5,7-12H,6,13-18H2,1-2H3,(H,26,30)
InChIKeyGFPHSFPMCKNOLN-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.24
Rot. Bonds8

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide (PubChem CID 134334323) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide
PubChem CID134334323
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide
SMILESCN(C)c1ccc2cccc(OCC(=O)NCCCN3CCc4ccccc4C3)c2n1
InChIInChI=1S/C25H30N4O2/c1-28(2)23-12-11-20-9-5-10-22(25(20)27-23)31-18-24(30)26-14-6-15-29-16-13-19-7-3-4-8-21(19)17-29/h3-5,7-12H,6,13-18H2,1-2H3,(H,26,30)
InChIKeyGFPHSFPMCKNOLN-UHFFFAOYSA-N
XLogP3.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[3-(4-methylpiperazin-1-yl)phenoxy]acetamide
CID 134334330
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20862000
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758512
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990517
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxybenzamide
CID 39614122
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-2-carboxamide
CID 37094959
4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
CID 120564700
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38554360
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide (CID 134334323) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide is CN(C)c1ccc2cccc(OCC(=O)NCCCN3CCc4ccccc4C3)c2n1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide?
The InChIKey is GFPHSFPMCKNOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-28(2)23-12-11-20-9-5-10-22(25(20)27-23)31-18-24(30)26-14-6-15-29-16-13-19-7-3-4-8-21(19)17-29/h3-5,7-12H,6,13-18H2,1-2H3,(H,26,30).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide has a molecular weight of 418.54 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[2-(dimethylamino)quinolin-8-yl]oxyacetamide is sourced from PubChem (CID 134334323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).