1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol

C14H19N3O — CID 62334736

IUPAC1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O/c1-10(18)8-17(2)9-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,10,18H,8-9,15H2,1-2H3
InChIKeyOKOKWIPVJGBVHH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.63
Rot. Bonds4

About 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol

1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol (PubChem CID 62334736) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
PubChem CID62334736
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O/c1-10(18)8-17(2)9-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,10,18H,8-9,15H2,1-2H3
InChIKeyOKOKWIPVJGBVHH-UHFFFAOYSA-N
XLogP1.63
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
CID 43375996
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
CID 55174134
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
CID 43588221
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
8-(propan-2-ylsulfinylmethyl)quinolin-5-amine
CID 61289256
1-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]propan-2-ol
CID 83163721

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol (CID 62334736) is 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol?
The InChIKey is OKOKWIPVJGBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(18)8-17(2)9-11-5-6-13(15)12-4-3-7-16-14(11)12/h3-7,10,18H,8-9,15H2,1-2H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol?
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62334736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).