6-phenylmethoxyquinolin-5-amine

C16H14N2O — CID 43809775

IUPAC6-phenylmethoxyquinolin-5-amine
SMILESNc1c(OCc2ccccc2)ccc2ncccc12
InChIInChI=1S/C16H14N2O/c17-16-13-7-4-10-18-14(13)8-9-15(16)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2
InChIKeyXWEQKGZJYUPMSW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.40
Rot. Bonds3

About 6-phenylmethoxyquinolin-5-amine

6-phenylmethoxyquinolin-5-amine (PubChem CID 43809775) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-phenylmethoxyquinolin-5-amine.

Molecular Properties

Compound Name6-phenylmethoxyquinolin-5-amine
PubChem CID43809775
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6-phenylmethoxyquinolin-5-amine
SMILESNc1c(OCc2ccccc2)ccc2ncccc12
InChIInChI=1S/C16H14N2O/c17-16-13-7-4-10-18-14(13)8-9-15(16)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2
InChIKeyXWEQKGZJYUPMSW-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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Related Compounds

4-phenylmethoxyquinoline
CID 11299312
(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
6-benzylquinolin-5-amine
CID 15441702
6-(4,4,4-trifluorobutoxy)quinolin-5-amine
CID 82788005
6-(2-iodophenoxy)quinolin-5-amine
CID 43809889
8-phenylmethoxyquinoline-5-sulfonamide
CID 60758024
6-(2-pyrrolidin-1-ylethoxy)quinolin-5-amine
CID 61102865
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-phenyl-8-phenylmethoxyquinoline
CID 11809105
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]quinolin-5-amine
CID 103174392

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyquinolin-5-amine?
The IUPAC name of 6-phenylmethoxyquinolin-5-amine (CID 43809775) is 6-phenylmethoxyquinolin-5-amine.
What is the SMILES notation for 6-phenylmethoxyquinolin-5-amine?
The canonical SMILES for 6-phenylmethoxyquinolin-5-amine is Nc1c(OCc2ccccc2)ccc2ncccc12.
What is the InChIKey of 6-phenylmethoxyquinolin-5-amine?
The InChIKey is XWEQKGZJYUPMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-16-13-7-4-10-18-14(13)8-9-15(16)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2.
What are the key properties of 6-phenylmethoxyquinolin-5-amine?
6-phenylmethoxyquinolin-5-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 6-phenylmethoxyquinolin-5-amine is sourced from PubChem (CID 43809775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).