1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol

C17H24N2O2 — CID 86741428

IUPAC1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
SMILESCCCCCC(O)Nc1cc(OC)cc2c(C)ccnc12
InChIInChI=1S/C17H24N2O2/c1-4-5-6-7-16(20)19-15-11-13(21-3)10-14-12(2)8-9-18-17(14)15/h8-11,16,19-20H,4-7H2,1-3H3
InChIKeyHODZHHGGZPHVPO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.86
Rot. Bonds7

About 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol

1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol (PubChem CID 86741428) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
PubChem CID86741428
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol
SMILESCCCCCC(O)Nc1cc(OC)cc2c(C)ccnc12
InChIInChI=1S/C17H24N2O2/c1-4-5-6-7-16(20)19-15-11-13(21-3)10-14-12(2)8-9-18-17(14)15/h8-11,16,19-20H,4-7H2,1-3H3
InChIKeyHODZHHGGZPHVPO-UHFFFAOYSA-N
XLogP3.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Primaquine
CID 4908
Sitamaquine
CID 42548
Primaquine Diphosphate
CID 6135
Quinocide
CID 68928
6-Methoxy-8-quinolinamine
CID 7023
(+)-Primaquine
CID 3044369
N-(6-Methoxy-8-quinolinyl)-4-methylbenzenesulfonamide
CID 130606
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
Pamaquine
CID 10290
(-)-Primaquine
CID 3044368
8-Aminoquinolin-6-ol
CID 244284

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol?
The IUPAC name of 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol (CID 86741428) is 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol.
What is the SMILES notation for 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol?
The canonical SMILES for 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol is CCCCCC(O)Nc1cc(OC)cc2c(C)ccnc12.
What is the InChIKey of 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol?
The InChIKey is HODZHHGGZPHVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-6-7-16(20)19-15-11-13(21-3)10-14-12(2)8-9-18-17(14)15/h8-11,16,19-20H,4-7H2,1-3H3.
What are the key properties of 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol?
1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-4-methylquinolin-8-yl)amino]hexan-1-ol is sourced from PubChem (CID 86741428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).