2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

C23H23NO4 — CID 154842290

IUPAC2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(O)C1CN(CC(O)COc2cccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C23H23NO4/c25-18(15-28-22-11-5-8-16-6-1-4-10-20(16)22)13-24-12-17-7-2-3-9-19(17)21(14-24)23(26)27/h1-11,18,21,25H,12-15H2,(H,26,27)
InChIKeyZPGUIUCFZBKBJW-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.26
Rot. Bonds6

About 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 154842290) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID154842290
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(O)C1CN(CC(O)COc2cccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C23H23NO4/c25-18(15-28-22-11-5-8-16-6-1-4-10-20(16)22)13-24-12-17-7-2-3-9-19(17)21(14-24)23(26)27/h1-11,18,21,25H,12-15H2,(H,26,27)
InChIKeyZPGUIUCFZBKBJW-UHFFFAOYSA-N
XLogP3.26
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid with MolForge

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Related Compounds

(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)pyrrolidine-2-carboxylic acid
CID 110182844
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
2-(3-amino-2-methyl-3-oxopropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260571
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
CID 18081715
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 166320728
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,4-diazepan-5-one
CID 110882982
1-naphthalen-1-yloxy-3-[4-(2-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 46798078
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 154842290) is 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is O=C(O)C1CN(CC(O)COc2cccc3ccccc23)Cc2ccccc21.
What is the InChIKey of 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is ZPGUIUCFZBKBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-18(15-28-22-11-5-8-16-6-1-4-10-20(16)22)13-24-12-17-7-2-3-9-19(17)21(14-24)23(26)27/h1-11,18,21,25H,12-15H2,(H,26,27).
What are the key properties of 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 154842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).