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

C17H22N2O2 — CID 114952231

IUPAC4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
SMILESCc1cc2ccccc2nc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C17H22N2O2/c1-13-11-14-5-3-4-6-15(14)18-16(13)19(2)12-17(20)7-9-21-10-8-17/h3-6,11,20H,7-10,12H2,1-2H3
InChIKeyHVXRQEIPFBTISU-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.52
Rot. Bonds3

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

4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol (PubChem CID 114952231) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
PubChem CID114952231
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
SMILESCc1cc2ccccc2nc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C17H22N2O2/c1-13-11-14-5-3-4-6-15(14)18-16(13)19(2)12-17(20)7-9-21-10-8-17/h3-6,11,20H,7-10,12H2,1-2H3
InChIKeyHVXRQEIPFBTISU-UHFFFAOYSA-N
XLogP2.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114952384
3-[methyl-(3-methylquinolin-2-yl)amino]propanenitrile
CID 63229008
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[methyl(3-phenylpropyl)amino]methyl]oxan-4-ol
CID 115746956
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylbenzoic acid
CID 114949896
2-methyl-3-[methyl-(3-methylquinolin-2-yl)amino]propanoic acid
CID 55174576
1-[[[2-(hydroxymethyl)quinolin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114952352
N',2-dimethyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 63228923
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol (CID 114952231) is 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol is Cc1cc2ccccc2nc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol?
The InChIKey is HVXRQEIPFBTISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-11-14-5-3-4-6-15(14)18-16(13)19(2)12-17(20)7-9-21-10-8-17/h3-6,11,20H,7-10,12H2,1-2H3.
What are the key properties of 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol?
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol has a molecular weight of 286.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).