[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

C23H20F2N2O — CID 118870735

IUPAC[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESC[C@@H]1C[C@@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1
InChIInChI=1S/C23H20F2N2O/c1-15-13-21(26-19-10-7-17(24)8-11-19)20-14-18(25)9-12-22(20)27(15)23(28)16-5-3-2-4-6-16/h2-12,14-15,21,26H,13H2,1H3/t15-,21-/m1/s1
InChIKeyJLCWNRHNKUVWED-QVKFZJNVSA-N
MW378.42 g/mol
LogP5.56
Rot. Bonds3

About [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone

[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (PubChem CID 118870735) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
PubChem CID118870735
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SMILESC[C@@H]1C[C@@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1
InChIInChI=1S/C23H20F2N2O/c1-15-13-21(26-19-10-7-17(24)8-11-19)20-14-18(25)9-12-22(20)27(15)23(28)16-5-3-2-4-6-16/h2-12,14-15,21,26H,13H2,1H3/t15-,21-/m1/s1
InChIKeyJLCWNRHNKUVWED-QVKFZJNVSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone (CID 118870735) is [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is C[C@@H]1C[C@@H](Nc2ccc(F)cc2)c2cc(F)ccc2N1C(=O)c1ccccc1.
What is the InChIKey of [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
The InChIKey is JLCWNRHNKUVWED-QVKFZJNVSA-N. The full InChI is InChI=1S/C23H20F2N2O/c1-15-13-21(26-19-10-7-17(24)8-11-19)20-14-18(25)9-12-22(20)27(15)23(28)16-5-3-2-4-6-16/h2-12,14-15,21,26H,13H2,1H3/t15-,21-/m1/s1.
What are the key properties of [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone?
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone has a molecular weight of 378.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 118870735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).