2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol

C16H20N2O2 — CID 106102375

IUPAC2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1cc(NCC2(O)CCOC2C)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11-9-15(13-5-3-4-6-14(13)18-11)17-10-16(19)7-8-20-12(16)2/h3-6,9,12,19H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyINGPUYIHDSIVDG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds3

About 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol

2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 106102375) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID106102375
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
SMILESCc1cc(NCC2(O)CCOC2C)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11-9-15(13-5-3-4-6-14(13)18-11)17-10-16(19)7-8-20-12(16)2/h3-6,9,12,19H,7-8,10H2,1-2H3,(H,17,18)
InChIKeyINGPUYIHDSIVDG-UHFFFAOYSA-N
XLogP2.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 78953374
3-[[(3-aminoquinolin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099717
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]naphthalene-1-carbonitrile
CID 106102266
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 115366049
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]quinoline-3-carbonitrile
CID 106102239
4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]cinnoline-3-carbonitrile
CID 107269555
3-[[(8-amino-3-methylisoquinolin-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099688
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-methylquinolin-4-amine
CID 114759234
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
2-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]quinolin-4-amine
CID 75430530
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 106102343
3-[[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106099606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol (CID 106102375) is 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol is Cc1cc(NCC2(O)CCOC2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is INGPUYIHDSIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-9-15(13-5-3-4-6-14(13)18-11)17-10-16(19)7-8-20-12(16)2/h3-6,9,12,19H,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol?
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 272.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).