3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol

C15H19N3O2 — CID 106099717

IUPAC3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10-15(19,6-7-20-10)9-18-14-11-4-2-3-5-13(11)17-8-12(14)16/h2-5,8,10,19H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyOXGRAOFRAFSJOG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.77
Rot. Bonds3

About 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106099717) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106099717
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-10-15(19,6-7-20-10)9-18-14-11-4-2-3-5-13(11)17-8-12(14)16/h2-5,8,10,19H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyOXGRAOFRAFSJOG-UHFFFAOYSA-N
XLogP1.77
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
CID 107269555
3-[(2-aminoanilino)methyl]-2-methyloxolan-3-ol
CID 106099631
3-[[(5-amino-7-fluoroquinolin-8-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099576
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
2-methyl-3-[(quinoxalin-2-ylmethylamino)methyl]oxolan-3-ol
CID 106100262
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 114143335
3-[[(3-amino-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
CID 106099560
3-[[(8-amino-3-methylisoquinolin-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099688
3-[[(2-aminopyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103235
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106120256
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol (CID 106099717) is 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1c(N)cnc2ccccc12.
What is the InChIKey of 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is OXGRAOFRAFSJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-15(19,6-7-20-10)9-18-14-11-4-2-3-5-13(11)17-8-12(14)16/h2-5,8,10,19H,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 273.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106099717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).