4-[(2-methylquinolin-4-yl)amino]phenol

C16H14N2O — CID 939157

IUPAC4-[(2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2ccccc2n1
InChIInChI=1S/C16H14N2O/c1-11-10-16(14-4-2-3-5-15(14)17-11)18-12-6-8-13(19)9-7-12/h2-10,19H,1H3,(H,17,18)
InChIKeyWHTXSCUAVHWJSF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.99
Rot. Bonds2

About 4-[(2-methylquinolin-4-yl)amino]phenol

4-[(2-methylquinolin-4-yl)amino]phenol (PubChem CID 939157) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-methylquinolin-4-yl)amino]phenol
PubChem CID939157
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-[(2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2ccccc2n1
InChIInChI=1S/C16H14N2O/c1-11-10-16(14-4-2-3-5-15(14)17-11)18-12-6-8-13(19)9-7-12/h2-10,19H,1H3,(H,17,18)
InChIKeyWHTXSCUAVHWJSF-UHFFFAOYSA-N
XLogP3.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)phenyl]-2-methylquinolin-4-amine
CID 65029424
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
N'-hydroxy-N-[4-[(2-methylquinolin-4-yl)amino]phenyl]butanediamide
CID 172561837
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
CID 696659
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
4-[(2-methylquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
CID 13362496
1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
CID 66835446

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-4-yl)amino]phenol?
The IUPAC name of 4-[(2-methylquinolin-4-yl)amino]phenol (CID 939157) is 4-[(2-methylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2-methylquinolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2-methylquinolin-4-yl)amino]phenol is Cc1cc(Nc2ccc(O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-4-yl)amino]phenol?
The InChIKey is WHTXSCUAVHWJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-10-16(14-4-2-3-5-15(14)17-11)18-12-6-8-13(19)9-7-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-[(2-methylquinolin-4-yl)amino]phenol?
4-[(2-methylquinolin-4-yl)amino]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 939157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).