N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine

C16H20N2O2 — CID 80702551

IUPACN-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
SMILESCOc1cccc2ccc(CNC3CCOCC3)nc12
InChIInChI=1S/C16H20N2O2/c1-19-15-4-2-3-12-5-6-14(18-16(12)15)11-17-13-7-9-20-10-8-13/h2-6,13,17H,7-11H2,1H3
InChIKeySJLYBBPROWTFBM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.51
Rot. Bonds4

About N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine

N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine (PubChem CID 80702551) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
PubChem CID80702551
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
SMILESCOc1cccc2ccc(CNC3CCOCC3)nc12
InChIInChI=1S/C16H20N2O2/c1-19-15-4-2-3-12-5-6-14(18-16(12)15)11-17-13-7-9-20-10-8-13/h2-6,13,17H,7-11H2,1H3
InChIKeySJLYBBPROWTFBM-UHFFFAOYSA-N
XLogP2.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methoxyquinolin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 80702031
N-[(8-methoxyquinolin-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 80701799
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
CID 80702051
N-[(8-methoxyquinolin-2-yl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 80702693
(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine
CID 177367992
N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417660
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106024171
(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen
CID 177367991
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine (CID 80702551) is N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine is COc1cccc2ccc(CNC3CCOCC3)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine?
The InChIKey is SJLYBBPROWTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-15-4-2-3-12-5-6-14(18-16(12)15)11-17-13-7-9-20-10-8-13/h2-6,13,17H,7-11H2,1H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine?
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 80702551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).