1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine

C16H20N2O3 — CID 80702051

IUPAC1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
SMILESCOc1cccc2ccc(CNCC3COCCO3)nc12
InChIInChI=1S/C16H20N2O3/c1-19-15-4-2-3-12-5-6-13(18-16(12)15)9-17-10-14-11-20-7-8-21-14/h2-6,14,17H,7-11H2,1H3
InChIKeyYMQLZSCDKBHKIM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine (PubChem CID 80702051) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
PubChem CID80702051
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
SMILESCOc1cccc2ccc(CNCC3COCCO3)nc12
InChIInChI=1S/C16H20N2O3/c1-19-15-4-2-3-12-5-6-13(18-16(12)15)9-17-10-14-11-20-7-8-21-14/h2-6,14,17H,7-11H2,1H3
InChIKeyYMQLZSCDKBHKIM-UHFFFAOYSA-N
XLogP1.75
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine with MolForge

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Related Compounds

1-(1,4-dioxan-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453529
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
CID 80702551
N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417660
N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106024171
1-(8-methoxyquinolin-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 80702048
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2,6-dimethoxyphenol
CID 60962285
N-[(8-methoxyquinolin-2-yl)methyl]-2-methylbutan-1-amine
CID 80703435
N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106395260
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine (CID 80702051) is 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine is COc1cccc2ccc(CNCC3COCCO3)nc12.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine?
The InChIKey is YMQLZSCDKBHKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-15-4-2-3-12-5-6-13(18-16(12)15)9-17-10-14-11-20-7-8-21-14/h2-6,14,17H,7-11H2,1H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine has a molecular weight of 288.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine is sourced from PubChem (CID 80702051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).