3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol

C17H23N3O — CID 102859911

IUPAC3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
SMILESNc1ccc(CN(CCCO)C2CCC2)c2ncccc12
InChIInChI=1S/C17H23N3O/c18-16-8-7-13(17-15(16)6-2-9-19-17)12-20(10-3-11-21)14-4-1-5-14/h2,6-9,14,21H,1,3-5,10-12,18H2
InChIKeyXLRNLWDGACIAOJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds6

About 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol

3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol (PubChem CID 102859911) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
PubChem CID102859911
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
SMILESNc1ccc(CN(CCCO)C2CCC2)c2ncccc12
InChIInChI=1S/C17H23N3O/c18-16-8-7-13(17-15(16)6-2-9-19-17)12-20(10-3-11-21)14-4-1-5-14/h2,6-9,14,21H,1,3-5,10-12,18H2
InChIKeyXLRNLWDGACIAOJ-UHFFFAOYSA-N
XLogP2.55
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
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

3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
CID 111431912
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
8-[(dibutylamino)methyl]quinolin-5-amine
CID 43375839
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736
2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
CID 102677075
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol (CID 102859911) is 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol is Nc1ccc(CN(CCCO)C2CCC2)c2ncccc12.
What is the InChIKey of 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol?
The InChIKey is XLRNLWDGACIAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-16-8-7-13(17-15(16)6-2-9-19-17)12-20(10-3-11-21)14-4-1-5-14/h2,6-9,14,21H,1,3-5,10-12,18H2.
What are the key properties of 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol?
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).