3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol

C16H19BrN2O2 — CID 107268154

IUPAC3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H19BrN2O2/c1-11-16(20,6-8-21-11)10-18-9-12-4-5-14(17)13-3-2-7-19-15(12)13/h2-5,7,11,18,20H,6,8-10H2,1H3
InChIKeyVODYKCLXMYECLZ-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.63
Rot. Bonds4

About 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol

3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107268154) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107268154
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C16H19BrN2O2/c1-11-16(20,6-8-21-11)10-18-9-12-4-5-14(17)13-3-2-7-19-15(12)13/h2-5,7,11,18,20H,6,8-10H2,1H3
InChIKeyVODYKCLXMYECLZ-UHFFFAOYSA-N
XLogP2.63
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750052
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115959206
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-[[(3-chloro-4-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 114143498
N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115959209
3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268272
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268212
2-methyl-3-[[(2-methylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 107268404
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol (CID 107268154) is 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCc1ccc(Br)c2cccnc12.
What is the InChIKey of 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is VODYKCLXMYECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-16(20,6-8-21-11)10-18-9-12-4-5-14(17)13-3-2-7-19-15(12)13/h2-5,7,11,18,20H,6,8-10H2,1H3.
What are the key properties of 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol?
3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 351.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromoquinolin-8-yl)methylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107268154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).