7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

C26H25N3O2 — CID 2221510

IUPAC7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc12
InChIInChI=1S/C26H25N3O2/c30-26-22(14-13-18-8-6-16-28-25(18)26)24(29-23-12-3-4-15-27-23)19-7-5-11-21(17-19)31-20-9-1-2-10-20/h3-8,11-17,20,24,30H,1-2,9-10H2,(H,27,29)/t24-/m0/s1
InChIKeyGLUBUPGDNWUQTD-DEOSSOPVSA-N
MW411.51 g/mol
LogP5.86
Rot. Bonds6

About 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol

7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (PubChem CID 2221510) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
PubChem CID2221510
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SMILESOc1c([C@@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc12
InChIInChI=1S/C26H25N3O2/c30-26-22(14-13-18-8-6-16-28-25(18)26)24(29-23-12-3-4-15-27-23)19-7-5-11-21(17-19)31-20-9-1-2-10-20/h3-8,11-17,20,24,30H,1-2,9-10H2,(H,27,29)/t24-/m0/s1
InChIKeyGLUBUPGDNWUQTD-DEOSSOPVSA-N
XLogP5.86
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol (CID 2221510) is 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is Oc1c([C@@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc12.
What is the InChIKey of 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
The InChIKey is GLUBUPGDNWUQTD-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-26-22(14-13-18-8-6-16-28-25(18)26)24(29-23-12-3-4-15-27-23)19-7-5-11-21(17-19)31-20-9-1-2-10-20/h3-8,11-17,20,24,30H,1-2,9-10H2,(H,27,29)/t24-/m0/s1.
What are the key properties of 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol?
7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol has a molecular weight of 411.51 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(S)-(3-cyclopentyloxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 2221510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).