4-octan-2-yloxyquinolin-8-amine

C17H24N2O — CID 83060551

IUPAC4-octan-2-yloxyquinolin-8-amine
SMILESCCCCCCC(C)Oc1ccnc2c(N)cccc12
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-8-13(2)20-16-11-12-19-17-14(16)9-7-10-15(17)18/h7,9-13H,3-6,8,18H2,1-2H3
InChIKeyUXZWHPUESMDKJD-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.55
Rot. Bonds7

About 4-octan-2-yloxyquinolin-8-amine

4-octan-2-yloxyquinolin-8-amine (PubChem CID 83060551) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-octan-2-yloxyquinolin-8-amine.

Molecular Properties

Compound Name4-octan-2-yloxyquinolin-8-amine
PubChem CID83060551
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-octan-2-yloxyquinolin-8-amine
SMILESCCCCCCC(C)Oc1ccnc2c(N)cccc12
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-8-13(2)20-16-11-12-19-17-14(16)9-7-10-15(17)18/h7,9-13H,3-6,8,18H2,1-2H3
InChIKeyUXZWHPUESMDKJD-UHFFFAOYSA-N
XLogP4.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
2-methoxy-6-octan-2-yloxyaniline
CID 113392822
5-octan-2-yloxyisoquinolin-8-amine
CID 43448927
5-propan-2-yloxyquinolin-8-amine
CID 43449641
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
3-heptan-2-yloxyaniline
CID 91558266
3-iodo-4-octan-2-yloxyaniline
CID 66093590
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
4-amino-3-octan-2-yloxybenzamide
CID 63356712

Frequently Asked Questions

What is the IUPAC name of 4-octan-2-yloxyquinolin-8-amine?
The IUPAC name of 4-octan-2-yloxyquinolin-8-amine (CID 83060551) is 4-octan-2-yloxyquinolin-8-amine.
What is the SMILES notation for 4-octan-2-yloxyquinolin-8-amine?
The canonical SMILES for 4-octan-2-yloxyquinolin-8-amine is CCCCCCC(C)Oc1ccnc2c(N)cccc12.
What is the InChIKey of 4-octan-2-yloxyquinolin-8-amine?
The InChIKey is UXZWHPUESMDKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-8-13(2)20-16-11-12-19-17-14(16)9-7-10-15(17)18/h7,9-13H,3-6,8,18H2,1-2H3.
What are the key properties of 4-octan-2-yloxyquinolin-8-amine?
4-octan-2-yloxyquinolin-8-amine has a molecular weight of 272.39 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octan-2-yloxyquinolin-8-amine is sourced from PubChem (CID 83060551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).