2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C13H17N3O3 — CID 107845509

IUPAC2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ccc(NC(CO)(CO)CO)c2ncccc12
InChIInChI=1S/C13H17N3O3/c14-10-3-4-11(12-9(10)2-1-5-15-12)16-13(6-17,7-18)8-19/h1-5,16-19H,6-8,14H2
InChIKeyWMAFYNKITWFFOY-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107845509) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107845509
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESNc1ccc(NC(CO)(CO)CO)c2ncccc12
InChIInChI=1S/C13H17N3O3/c14-10-3-4-11(12-9(10)2-1-5-15-12)16-13(6-17,7-18)8-19/h1-5,16-19H,6-8,14H2
InChIKeyWMAFYNKITWFFOY-UHFFFAOYSA-N
XLogP-0.06
TPSA111.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845881
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
CID 106359109
8-N-(1-methylcyclopentyl)quinoline-5,8-diamine
CID 61364592
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107845509) is 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is Nc1ccc(NC(CO)(CO)CO)c2ncccc12.
What is the InChIKey of 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is WMAFYNKITWFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-10-3-4-11(12-9(10)2-1-5-15-12)16-13(6-17,7-18)8-19/h1-5,16-19H,6-8,14H2.
What are the key properties of 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107845509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).