7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol

C25H28N2O2 — CID 164624263

IUPAC7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(COC2CCc3ccccc3C2)c2cccnc12
InChIInChI=1S/C25H28N2O2/c28-25-20(16-27-12-3-4-13-27)14-21(23-8-5-11-26-24(23)25)17-29-22-10-9-18-6-1-2-7-19(18)15-22/h1-2,5-8,11,14,22,28H,3-4,9-10,12-13,15-17H2
InChIKeyOWOUQCAXYYYXAG-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.61
Rot. Bonds5

About 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol

7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol (PubChem CID 164624263) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol.

Molecular Properties

Compound Name7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol
PubChem CID164624263
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(COC2CCc3ccccc3C2)c2cccnc12
InChIInChI=1S/C25H28N2O2/c28-25-20(16-27-12-3-4-13-27)14-21(23-8-5-11-26-24(23)25)17-29-22-10-9-18-6-1-2-7-19(18)15-22/h1-2,5-8,11,14,22,28H,3-4,9-10,12-13,15-17H2
InChIKeyOWOUQCAXYYYXAG-UHFFFAOYSA-N
XLogP4.61
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
5-(Isobutoxymethyl)-8-quinolinol
CID 761896
5,7-Dimethyl-8-quinolinol
CID 762732
5-(Propoxymethyl)quinolin-8-ol
CID 1895574
5-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 2303849
7-[Morpholin-4-yl(pyridin-2-yl)methyl]quinolin-8-ol
CID 2999043
5-Methoxymethyl-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 598979
5-(Methoxymethyl)-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol
CID 683744
5-(Methoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol
CID 689261
5-((Benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 3426979
5-((1,2,3,4-Tetrahydroisoquinolin-2-yl)methyl)quinolin-8-ol
CID 2398303
5-(Pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 776032

Frequently Asked Questions

What is the IUPAC name of 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol?
The IUPAC name of 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol (CID 164624263) is 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol.
What is the SMILES notation for 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol?
The canonical SMILES for 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol is Oc1c(CN2CCCC2)cc(COC2CCc3ccccc3C2)c2cccnc12.
What is the InChIKey of 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol?
The InChIKey is OWOUQCAXYYYXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-25-20(16-27-12-3-4-13-27)14-21(23-8-5-11-26-24(23)25)17-29-22-10-9-18-6-1-2-7-19(18)15-22/h1-2,5-8,11,14,22,28H,3-4,9-10,12-13,15-17H2.
What are the key properties of 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol?
7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol has a molecular weight of 388.51 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrrolidin-1-ylmethyl)-5-(1,2,3,4-tetrahydronaphthalen-2-yloxymethyl)quinolin-8-ol is sourced from PubChem (CID 164624263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).