3-(2-Methylquinolin-4-ylamino)phenol

HCID 942693

Notes Reactions

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Basic information

Standard SMILES: Cc1cc(Nc2cccc(O)c2)c2ccccc2n1
InChIKey: OLVAXNKVWYWHSD-UHFFFAOYSA-N
Molecular formula: C16H14N2O
Average molar mass: 250.29 g/mol

Names & identifiers

Preferred name: 3-(2-Methylquinolin-4-ylamino)phenol
IUPAC: 3-[(2-methylquinolin-4-yl)amino]phenol

Names & synonyms

3-(2-Methylquinolin-4-ylamino)phenol3-[(2-methylquinolin-4-yl)amino]phenolBAS 07396472SCHEMBL4633311CHEMBL1617119OLVAXNKVWYWHSD-UHFFFAOYSA-NSTK827709AKOS004896778

Database identifiers

PubChem CID: 942693
ChEMBL: CHEMBL1617119

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 296

Related reactions

2 records

New reaction record

HRID 670224As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 914970As reactantuspto-grants-2007_09

Compound notes

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