6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol

C13H20N2O2 — CID 84699522

IUPAC6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
SMILESCN1CCCc2c1ccc(C(O)CCN)c2O
InChIInChI=1S/C13H20N2O2/c1-15-8-2-3-9-11(15)5-4-10(13(9)17)12(16)6-7-14/h4-5,12,16-17H,2-3,6-8,14H2,1H3
InChIKeyFZUFGGHCQGMIFM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.16
Rot. Bonds3

About 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol

6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol (PubChem CID 84699522) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol.

Molecular Properties

Compound Name6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
PubChem CID84699522
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol
SMILESCN1CCCc2c1ccc(C(O)CCN)c2O
InChIInChI=1S/C13H20N2O2/c1-15-8-2-3-9-11(15)5-4-10(13(9)17)12(16)6-7-14/h4-5,12,16-17H,2-3,6-8,14H2,1H3
InChIKeyFZUFGGHCQGMIFM-UHFFFAOYSA-N
XLogP1.16
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol?
The IUPAC name of 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol (CID 84699522) is 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol.
What is the SMILES notation for 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol?
The canonical SMILES for 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol is CN1CCCc2c1ccc(C(O)CCN)c2O.
What is the InChIKey of 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol?
The InChIKey is FZUFGGHCQGMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-8-2-3-9-11(15)5-4-10(13(9)17)12(16)6-7-14/h4-5,12,16-17H,2-3,6-8,14H2,1H3.
What are the key properties of 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol?
6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol has a molecular weight of 236.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1-hydroxypropyl)-1-methyl-3,4-dihydro-2H-quinolin-5-ol is sourced from PubChem (CID 84699522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).