3-[(8-methoxyquinolin-2-yl)methylamino]phenol

C17H16N2O2 — CID 80702906

IUPAC3-[(8-methoxyquinolin-2-yl)methylamino]phenol
SMILESCOc1cccc2ccc(CNc3cccc(O)c3)nc12
InChIInChI=1S/C17H16N2O2/c1-21-16-7-2-4-12-8-9-14(19-17(12)16)11-18-13-5-3-6-15(20)10-13/h2-10,18,20H,11H2,1H3
InChIKeyRVENDGUNVDXUNW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About 3-[(8-methoxyquinolin-2-yl)methylamino]phenol

3-[(8-methoxyquinolin-2-yl)methylamino]phenol (PubChem CID 80702906) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(8-methoxyquinolin-2-yl)methylamino]phenol.

Molecular Properties

Compound Name3-[(8-methoxyquinolin-2-yl)methylamino]phenol
PubChem CID80702906
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(8-methoxyquinolin-2-yl)methylamino]phenol
SMILESCOc1cccc2ccc(CNc3cccc(O)c3)nc12
InChIInChI=1S/C17H16N2O2/c1-21-16-7-2-4-12-8-9-14(19-17(12)16)11-18-13-5-3-6-15(20)10-13/h2-10,18,20H,11H2,1H3
InChIKeyRVENDGUNVDXUNW-UHFFFAOYSA-N
XLogP3.56
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methoxyquinolin-2-yl)methyl]-1H-pyrazol-4-amine
CID 80701790
N-[(8-methoxyquinolin-2-yl)methyl]-3-methylpentan-3-amine
CID 106328471
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
2-[(3-chloroanilino)methyl]quinolin-8-ol
CID 20930675
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
2-methoxy-5-(quinolin-2-ylmethylamino)phenol
CID 64955663
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154
3-[(8-methoxyquinolin-2-yl)methylamino]-4-methylpentan-1-ol
CID 106348826
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
CID 80702551
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxyquinolin-2-yl)methylamino]phenol?
The IUPAC name of 3-[(8-methoxyquinolin-2-yl)methylamino]phenol (CID 80702906) is 3-[(8-methoxyquinolin-2-yl)methylamino]phenol.
What is the SMILES notation for 3-[(8-methoxyquinolin-2-yl)methylamino]phenol?
The canonical SMILES for 3-[(8-methoxyquinolin-2-yl)methylamino]phenol is COc1cccc2ccc(CNc3cccc(O)c3)nc12.
What is the InChIKey of 3-[(8-methoxyquinolin-2-yl)methylamino]phenol?
The InChIKey is RVENDGUNVDXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-7-2-4-12-8-9-14(19-17(12)16)11-18-13-5-3-6-15(20)10-13/h2-10,18,20H,11H2,1H3.
What are the key properties of 3-[(8-methoxyquinolin-2-yl)methylamino]phenol?
3-[(8-methoxyquinolin-2-yl)methylamino]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxyquinolin-2-yl)methylamino]phenol is sourced from PubChem (CID 80702906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).