N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine

C17H15FN2O — CID 798853

IUPACN-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O/c1-11-9-17(20-13-5-3-12(18)4-6-13)15-10-14(21-2)7-8-16(15)19-11/h3-10H,1-2H3,(H,19,20)
InChIKeyDXCGHLSWEZHEIP-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.43
Rot. Bonds3

About N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine

N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine (PubChem CID 798853) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
PubChem CID798853
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)cc(Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C17H15FN2O/c1-11-9-17(20-13-5-3-12(18)4-6-13)15-10-14(21-2)7-8-16(15)19-11/h3-10H,1-2H3,(H,19,20)
InChIKeyDXCGHLSWEZHEIP-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine (CID 798853) is N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)cc(Nc3ccc(F)cc3)c2c1.
What is the InChIKey of N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is DXCGHLSWEZHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11-9-17(20-13-5-3-12(18)4-6-13)15-10-14(21-2)7-8-16(15)19-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine?
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 282.32 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 798853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).