8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine

C17H15FN2O — CID 104847077

IUPAC8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine
SMILESCOc1ccc(F)c2nc(-c3ccccc3)c(C)c(N)c12
InChIInChI=1S/C17H15FN2O/c1-10-15(19)14-13(21-2)9-8-12(18)17(14)20-16(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,19,20)
InChIKeyZSHBDAKIRLIPQB-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.94
Rot. Bonds2

About 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine

8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine (PubChem CID 104847077) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine
PubChem CID104847077
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine
SMILESCOc1ccc(F)c2nc(-c3ccccc3)c(C)c(N)c12
InChIInChI=1S/C17H15FN2O/c1-10-15(19)14-13(21-2)9-8-12(18)17(14)20-16(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,19,20)
InChIKeyZSHBDAKIRLIPQB-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3,8-dimethyl-2-phenylquinolin-4-amine
CID 104847016
8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
CID 122424753
8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 45157374
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
2-methoxy-4,6-diphenylpyrimidin-5-amine
CID 624065
8-fluoro-N,3,6-trimethyl-2-phenylquinolin-4-amine
CID 104847019
8-chloro-5-methoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744590
4-chloro-7,8-difluoro-3-methyl-2-phenylquinoline
CID 104846013
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
2-(4-chlorophenyl)-3-fluoro-5-methoxypyridin-4-amine
CID 174787583
(8-fluoro-5-methoxyquinolin-2-yl)methanamine
CID 102941402

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine?
The IUPAC name of 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine (CID 104847077) is 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine.
What is the SMILES notation for 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine?
The canonical SMILES for 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine is COc1ccc(F)c2nc(-c3ccccc3)c(C)c(N)c12.
What is the InChIKey of 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine?
The InChIKey is ZSHBDAKIRLIPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-15(19)14-13(21-2)9-8-12(18)17(14)20-16(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine?
8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine has a molecular weight of 282.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methoxy-3-methyl-2-phenylquinolin-4-amine is sourced from PubChem (CID 104847077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).