[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone

C17H17FN2O — CID 68923463

IUPAC[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
SMILESC[C@H]1C[C@@H](N)c2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-11-10-15(19)14-4-2-3-5-16(14)20(11)17(21)12-6-8-13(18)9-7-12/h2-9,11,15H,10,19H2,1H3/t11-,15+/m0/s1
InChIKeyVLJUUEIBGQZHDS-XHDPSFHLSA-N
MW284.33 g/mol
LogP3.26
Rot. Bonds1

About [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone

[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 68923463) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
PubChem CID68923463
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
SMILESC[C@H]1C[C@@H](N)c2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c1-11-10-15(19)14-4-2-3-5-16(14)20(11)17(21)12-6-8-13(18)9-7-12/h2-9,11,15H,10,19H2,1H3/t11-,15+/m0/s1
InChIKeyVLJUUEIBGQZHDS-XHDPSFHLSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone (CID 68923463) is [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone is C[C@H]1C[C@@H](N)c2ccccc2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is VLJUUEIBGQZHDS-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-10-15(19)14-4-2-3-5-16(14)20(11)17(21)12-6-8-13(18)9-7-12/h2-9,11,15H,10,19H2,1H3/t11-,15+/m0/s1.
What are the key properties of [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 68923463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).