8-phenylmethoxyquinolin-6-amine

C16H14N2O — CID 22053377

IUPAC8-phenylmethoxyquinolin-6-amine
SMILESNc1cc(OCc2ccccc2)c2ncccc2c1
InChIInChI=1S/C16H14N2O/c17-14-9-13-7-4-8-18-16(13)15(10-14)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2
InChIKeyXCVDVAAIOPKBIV-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.40
Rot. Bonds3

About 8-phenylmethoxyquinolin-6-amine

8-phenylmethoxyquinolin-6-amine (PubChem CID 22053377) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-phenylmethoxyquinolin-6-amine.

Molecular Properties

Compound Name8-phenylmethoxyquinolin-6-amine
PubChem CID22053377
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name8-phenylmethoxyquinolin-6-amine
SMILESNc1cc(OCc2ccccc2)c2ncccc2c1
InChIInChI=1S/C16H14N2O/c17-14-9-13-7-4-8-18-16(13)15(10-14)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2
InChIKeyXCVDVAAIOPKBIV-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-phenylmethoxyquinolin-6-amine?
The IUPAC name of 8-phenylmethoxyquinolin-6-amine (CID 22053377) is 8-phenylmethoxyquinolin-6-amine.
What is the SMILES notation for 8-phenylmethoxyquinolin-6-amine?
The canonical SMILES for 8-phenylmethoxyquinolin-6-amine is Nc1cc(OCc2ccccc2)c2ncccc2c1.
What is the InChIKey of 8-phenylmethoxyquinolin-6-amine?
The InChIKey is XCVDVAAIOPKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-14-9-13-7-4-8-18-16(13)15(10-14)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2.
What are the key properties of 8-phenylmethoxyquinolin-6-amine?
8-phenylmethoxyquinolin-6-amine has a molecular weight of 250.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylmethoxyquinolin-6-amine is sourced from PubChem (CID 22053377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).