3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol

C14H17N3O2 — CID 106099436

IUPAC3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
SMILESNc1ccc(NCC2(O)CCOC2)c2cccnc12
InChIInChI=1S/C14H17N3O2/c15-11-3-4-12(10-2-1-6-16-13(10)11)17-8-14(18)5-7-19-9-14/h1-4,6,17-18H,5,7-9,15H2
InChIKeyGCWIHTUKOLTHBR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds3

About 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol

3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol (PubChem CID 106099436) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
PubChem CID106099436
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
SMILESNc1ccc(NCC2(O)CCOC2)c2cccnc12
InChIInChI=1S/C14H17N3O2/c15-11-3-4-12(10-2-1-6-16-13(10)11)17-8-14(18)5-7-19-9-14/h1-4,6,17-18H,5,7-9,15H2
InChIKeyGCWIHTUKOLTHBR-UHFFFAOYSA-N
XLogP1.38
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
CID 81134784
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
4-N-[(2-methyloxolan-2-yl)methyl]quinoline-4,8-diamine
CID 83061056
5-N-morpholin-4-ylquinoline-5,8-diamine
CID 83004132
3-[(2-amino-4-nitroanilino)methyl]oxolan-3-ol
CID 106099393
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
3-[[(3-pyridin-3-yl-4-pyridinyl)amino]methyl]oxolan-3-ol
CID 167876046
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119

Frequently Asked Questions

What is the IUPAC name of 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol (CID 106099436) is 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol is Nc1ccc(NCC2(O)CCOC2)c2cccnc12.
What is the InChIKey of 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol?
The InChIKey is GCWIHTUKOLTHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-11-3-4-12(10-2-1-6-16-13(10)11)17-8-14(18)5-7-19-9-14/h1-4,6,17-18H,5,7-9,15H2.
What are the key properties of 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol?
3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol has a molecular weight of 259.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).