3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone

C28H32N2O2 — CID 69073873

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
SMILESCN1CCCCC1CCOc1ccc2cc(C(=O)N3CCc4ccccc4C3)ccc2c1
InChIInChI=1S/C28H32N2O2/c1-29-15-5-4-8-26(29)14-17-32-27-12-11-22-18-24(10-9-23(22)19-27)28(31)30-16-13-21-6-2-3-7-25(21)20-30/h2-3,6-7,9-12,18-19,26H,4-5,8,13-17,20H2,1H3
InChIKeyPWBGOTCMKRNZAK-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.29
Rot. Bonds5

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone (PubChem CID 69073873) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
PubChem CID69073873
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone
SMILESCN1CCCCC1CCOc1ccc2cc(C(=O)N3CCc4ccccc4C3)ccc2c1
InChIInChI=1S/C28H32N2O2/c1-29-15-5-4-8-26(29)14-17-32-27-12-11-22-18-24(10-9-23(22)19-27)28(31)30-16-13-21-6-2-3-7-25(21)20-30/h2-3,6-7,9-12,18-19,26H,4-5,8,13-17,20H2,1H3
InChIKeyPWBGOTCMKRNZAK-UHFFFAOYSA-N
XLogP5.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone with MolForge

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Related Compounds

2-(cyclohexylmethyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3,4-dihydro-1H-isoquinoline;oxalic acid
CID 68687781
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 69283271
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
6-[2-(1-methylpiperidin-2-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287501
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
CID 88650025
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methoxyethyl)indol-6-yl]methanone
CID 71706055
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 38383791
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone (CID 69073873) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone is CN1CCCCC1CCOc1ccc2cc(C(=O)N3CCc4ccccc4C3)ccc2c1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
The InChIKey is PWBGOTCMKRNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-29-15-5-4-8-26(29)14-17-32-27-12-11-22-18-24(10-9-23(22)19-27)28(31)30-16-13-21-6-2-3-7-25(21)20-30/h2-3,6-7,9-12,18-19,26H,4-5,8,13-17,20H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone has a molecular weight of 428.58 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-[2-(1-methylpiperidin-2-yl)ethoxy]naphthalen-2-yl]methanone is sourced from PubChem (CID 69073873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).