1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone

C24H23FN2O2 — CID 1068528

IUPAC1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESC[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O2/c1-17-15-22(26-19-7-3-2-4-8-19)21-9-5-6-10-23(21)27(17)24(28)16-29-20-13-11-18(25)12-14-20/h2-14,17,22,26H,15-16H2,1H3/t17-,22-/m1/s1
InChIKeyJQYREBXPZWEONB-VGOFRKELSA-N
MW390.46 g/mol
LogP5.18
Rot. Bonds5

About 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 1068528) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID1068528
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESC[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C24H23FN2O2/c1-17-15-22(26-19-7-3-2-4-8-19)21-9-5-6-10-23(21)27(17)24(28)16-29-20-13-11-18(25)12-14-20/h2-14,17,22,26H,15-16H2,1H3/t17-,22-/m1/s1
InChIKeyJQYREBXPZWEONB-VGOFRKELSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 2238093
4-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanoate
CID 7283388
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
CID 3613081
[(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
CID 1048856
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-thiophen-2-ylethanone
CID 7381090
1-adamantyl-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 29056322
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1341342
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 6545672

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 1068528) is 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone is C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1.
What is the InChIKey of 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is JQYREBXPZWEONB-VGOFRKELSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-17-15-22(26-19-7-3-2-4-8-19)21-9-5-6-10-23(21)27(17)24(28)16-29-20-13-11-18(25)12-14-20/h2-14,17,22,26H,15-16H2,1H3/t17-,22-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 390.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 1068528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).