8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine

C26H26N2O2 — CID 70036629

IUPAC8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
SMILESC[C@H](CCCOc1cccc(-c2ccccc2)c1)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C26H26N2O2/c1-19(30-24-14-6-11-21-15-16-25(27)28-26(21)24)8-7-17-29-23-13-5-12-22(18-23)20-9-3-2-4-10-20/h2-6,9-16,18-19H,7-8,17H2,1H3,(H2,27,28)/t19-/m1/s1
InChIKeySXSQWOHHYFDBFP-LJQANCHMSA-N
MW398.51 g/mol
LogP6.11
Rot. Bonds8

About 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine

8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine (PubChem CID 70036629) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine.

Molecular Properties

Compound Name8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
PubChem CID70036629
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
SMILESC[C@H](CCCOc1cccc(-c2ccccc2)c1)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C26H26N2O2/c1-19(30-24-14-6-11-21-15-16-25(27)28-26(21)24)8-7-17-29-23-13-5-12-22(18-23)20-9-3-2-4-10-20/h2-6,9-16,18-19H,7-8,17H2,1H3,(H2,27,28)/t19-/m1/s1
InChIKeySXSQWOHHYFDBFP-LJQANCHMSA-N
XLogP6.11
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine?
The IUPAC name of 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine (CID 70036629) is 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine.
What is the SMILES notation for 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine?
The canonical SMILES for 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine is C[C@H](CCCOc1cccc(-c2ccccc2)c1)Oc1cccc2ccc(N)nc12.
What is the InChIKey of 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine?
The InChIKey is SXSQWOHHYFDBFP-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19(30-24-14-6-11-21-15-16-25(27)28-26(21)24)8-7-17-29-23-13-5-12-22(18-23)20-9-3-2-4-10-20/h2-6,9-16,18-19H,7-8,17H2,1H3,(H2,27,28)/t19-/m1/s1.
What are the key properties of 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine?
8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine is sourced from PubChem (CID 70036629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).