1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H24N2O — CID 118719856

IUPAC1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccccc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C
InChIInChI=1S/C24H24N2O/c1-17-15-23(25-21-11-7-4-8-12-21)22-16-20(19-9-5-3-6-10-19)13-14-24(22)26(17)18(2)27/h3-14,16-17,23,25H,15H2,1-2H3/t17-,23+/m0/s1
InChIKeyHXJWEYPXEZZATP-GAJHUEQPSA-N
MW356.47 g/mol
LogP5.65
Rot. Bonds3

About 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118719856) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118719856
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccccc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C
InChIInChI=1S/C24H24N2O/c1-17-15-23(25-21-11-7-4-8-12-21)22-16-20(19-9-5-3-6-10-19)13-14-24(22)26(17)18(2)27/h3-14,16-17,23,25H,15H2,1-2H3/t17-,23+/m0/s1
InChIKeyHXJWEYPXEZZATP-GAJHUEQPSA-N
XLogP5.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118719856) is 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccccc3)cc2[C@H](Nc2ccccc2)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is HXJWEYPXEZZATP-GAJHUEQPSA-N. The full InChI is InChI=1S/C24H24N2O/c1-17-15-23(25-21-11-7-4-8-12-21)22-16-20(19-9-5-3-6-10-19)13-14-24(22)26(17)18(2)27/h3-14,16-17,23,25H,15H2,1-2H3/t17-,23+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-anilino-2-methyl-6-phenyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118719856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).