2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol

C17H15FN2O — CID 135609781

IUPAC2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol
SMILESCc1cc(NCc2ccc(F)cc2)nc2cc(O)ccc12
InChIInChI=1S/C17H15FN2O/c1-11-8-17(19-10-12-2-4-13(18)5-3-12)20-16-9-14(21)6-7-15(11)16/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyIWXYZYQLHWOTAB-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.00
Rot. Bonds3

About 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol

2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol (PubChem CID 135609781) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol
PubChem CID135609781
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol
SMILESCc1cc(NCc2ccc(F)cc2)nc2cc(O)ccc12
InChIInChI=1S/C17H15FN2O/c1-11-8-17(19-10-12-2-4-13(18)5-3-12)20-16-9-14(21)6-7-15(11)16/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyIWXYZYQLHWOTAB-UHFFFAOYSA-N
XLogP4.00
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol (CID 135609781) is 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol is Cc1cc(NCc2ccc(F)cc2)nc2cc(O)ccc12.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol?
The InChIKey is IWXYZYQLHWOTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-8-17(19-10-12-2-4-13(18)5-3-12)20-16-9-14(21)6-7-15(11)16/h2-9,21H,10H2,1H3,(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol?
2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol has a molecular weight of 282.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-4-methylquinolin-7-ol is sourced from PubChem (CID 135609781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).