4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol

C17H17N3O — CID 107733762

IUPAC4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
SMILESCN(Cc1ccc(N)c2cccnc12)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O/c1-20(13-5-7-14(21)8-6-13)11-12-4-9-16(18)15-3-2-10-19-17(12)15/h2-10,21H,11,18H2,1H3
InChIKeyVKNJLKOFCSBQMO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.16
Rot. Bonds3

About 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol

4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol (PubChem CID 107733762) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol.

Molecular Properties

Compound Name4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
PubChem CID107733762
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
SMILESCN(Cc1ccc(N)c2cccnc12)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O/c1-20(13-5-7-14(21)8-6-13)11-12-4-9-16(18)15-3-2-10-19-17(12)15/h2-10,21H,11,18H2,1H3
InChIKeyVKNJLKOFCSBQMO-UHFFFAOYSA-N
XLogP3.16
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.16
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-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
CID 43376007
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
8-[[1-methoxypropan-2-yl(methyl)amino]methyl]quinolin-5-amine
CID 61450348
8-[[ethyl(2-methylpropyl)amino]methyl]quinolin-5-amine
CID 43375996
3-[(5-aminoquinolin-8-yl)methyl-methylamino]butanenitrile
CID 55174134
8-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]quinolin-5-amine
CID 43588221
8-[(2,5-dimethylphenoxy)methyl]quinolin-5-amine
CID 43376447
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol?
The IUPAC name of 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol (CID 107733762) is 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol.
What is the SMILES notation for 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol?
The canonical SMILES for 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol is CN(Cc1ccc(N)c2cccnc12)c1ccc(O)cc1.
What is the InChIKey of 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol?
The InChIKey is VKNJLKOFCSBQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(13-5-7-14(21)8-6-13)11-12-4-9-16(18)15-3-2-10-19-17(12)15/h2-10,21H,11,18H2,1H3.
What are the key properties of 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol?
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol has a molecular weight of 279.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol is sourced from PubChem (CID 107733762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).