2-methoxy-5-(quinolin-2-ylmethylamino)phenol

C17H16N2O2 — CID 64955663

IUPAC2-methoxy-5-(quinolin-2-ylmethylamino)phenol
SMILESCOc1ccc(NCc2ccc3ccccc3n2)cc1O
InChIInChI=1S/C17H16N2O2/c1-21-17-9-8-13(10-16(17)20)18-11-14-7-6-12-4-2-3-5-15(12)19-14/h2-10,18,20H,11H2,1H3
InChIKeyRICLFDHCUJLOFW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds4

About 2-methoxy-5-(quinolin-2-ylmethylamino)phenol

2-methoxy-5-(quinolin-2-ylmethylamino)phenol (PubChem CID 64955663) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methoxy-5-(quinolin-2-ylmethylamino)phenol.

Molecular Properties

Compound Name2-methoxy-5-(quinolin-2-ylmethylamino)phenol
PubChem CID64955663
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methoxy-5-(quinolin-2-ylmethylamino)phenol
SMILESCOc1ccc(NCc2ccc3ccccc3n2)cc1O
InChIInChI=1S/C17H16N2O2/c1-21-17-9-8-13(10-16(17)20)18-11-14-7-6-12-4-2-3-5-15(12)19-14/h2-10,18,20H,11H2,1H3
InChIKeyRICLFDHCUJLOFW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 28774802
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780
3-bromo-5-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 82860064
4-ethyl-N-(quinolin-2-ylmethyl)aniline
CID 29292689
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
N-(quinolin-2-ylmethyl)dibenzo-p-dioxin-2-amine
CID 70034330
N-(quinolin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 103818915
3-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774836
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
5-(ethylamino)-2-methoxyphenol
CID 43743866
N-(quinolin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 28774891
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(quinolin-2-ylmethylamino)phenol?
The IUPAC name of 2-methoxy-5-(quinolin-2-ylmethylamino)phenol (CID 64955663) is 2-methoxy-5-(quinolin-2-ylmethylamino)phenol.
What is the SMILES notation for 2-methoxy-5-(quinolin-2-ylmethylamino)phenol?
The canonical SMILES for 2-methoxy-5-(quinolin-2-ylmethylamino)phenol is COc1ccc(NCc2ccc3ccccc3n2)cc1O.
What is the InChIKey of 2-methoxy-5-(quinolin-2-ylmethylamino)phenol?
The InChIKey is RICLFDHCUJLOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-17-9-8-13(10-16(17)20)18-11-14-7-6-12-4-2-3-5-15(12)19-14/h2-10,18,20H,11H2,1H3.
What are the key properties of 2-methoxy-5-(quinolin-2-ylmethylamino)phenol?
2-methoxy-5-(quinolin-2-ylmethylamino)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 2-methoxy-5-(quinolin-2-ylmethylamino)phenol is sourced from PubChem (CID 64955663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).