6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine

C17H17N3O — CID 103174392

IUPAC6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
SMILESCCc1nc(C)ccc1Oc1ccc2ncccc2c1N
InChIInChI=1S/C17H17N3O/c1-3-13-15(8-6-11(2)20-13)21-16-9-7-14-12(17(16)18)5-4-10-19-14/h4-10H,3,18H2,1-2H3
InChIKeyPUMFFCXDPPWSAU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.88
Rot. Bonds3

About 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine

6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine (PubChem CID 103174392) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine.

Molecular Properties

Compound Name6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
PubChem CID103174392
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
SMILESCCc1nc(C)ccc1Oc1ccc2ncccc2c1N
InChIInChI=1S/C17H17N3O/c1-3-13-15(8-6-11(2)20-13)21-16-9-7-14-12(17(16)18)5-4-10-19-14/h4-10H,3,18H2,1-2H3
InChIKeyPUMFFCXDPPWSAU-UHFFFAOYSA-N
XLogP3.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-8-hydroxyquinoline
CID 416002
6-Methoxyquinoline
CID 14860
8-Acetoxyquinoline
CID 75777
4-Methoxynitracrine
CID 154886
5-(4-Methylphenylazo)-8-hydroxyquinoline
CID 208719
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
SK&F 96079
CID 196776
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
Dibenzo[c,f][2,7]naphthyridine, 16
CID 23648181
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine?
The IUPAC name of 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine (CID 103174392) is 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine.
What is the SMILES notation for 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine?
The canonical SMILES for 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine is CCc1nc(C)ccc1Oc1ccc2ncccc2c1N.
What is the InChIKey of 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine?
The InChIKey is PUMFFCXDPPWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-13-15(8-6-11(2)20-13)21-16-9-7-14-12(17(16)18)5-4-10-19-14/h4-10H,3,18H2,1-2H3.
What are the key properties of 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine?
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine is sourced from PubChem (CID 103174392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).