[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone

C26H28N2O — CID 7312959

IUPAC[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
SMILESCC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28N2O/c1-4-23-19(3)25(27-21-10-6-5-7-11-21)22-12-8-9-13-24(22)28(23)26(29)20-16-14-18(2)15-17-20/h5-17,19,23,25,27H,4H2,1-3H3/t19-,23-,25+/m1/s1
InChIKeyQTTIYMOFSPKBAW-NIDLKEISSA-N
MW384.52 g/mol
LogP6.22
Rot. Bonds4

About [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone

[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone (PubChem CID 7312959) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
PubChem CID7312959
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
SMILESCC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28N2O/c1-4-23-19(3)25(27-21-10-6-5-7-11-21)22-12-8-9-13-24(22)28(23)26(29)20-16-14-18(2)15-17-20/h5-17,19,23,25,27H,4H2,1-3H3/t19-,23-,25+/m1/s1
InChIKeyQTTIYMOFSPKBAW-NIDLKEISSA-N
XLogP6.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-tert-butylphenyl)methanone
CID 7283547
(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-propylphenyl)methanone
CID 3507028
[(2S,3R,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
CID 6581065
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-butylphenyl)methanone
CID 7360857
[(2S,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-butylphenyl)methanone
CID 11899645
[(2R,3R,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-butylphenyl)methanone
CID 7360859
1-[(2S,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 7335996
(4-chlorophenyl)-[2-ethyl-4-(4-iodoanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 5149617
[4-[[(2S,3R,4R)-2-ethyl-3-methyl-1-(4-propan-2-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl] thiocyanate
CID 92948469
(2R,3S,4S)-4-anilino-2-ethyl-N-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 44562760
1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone
CID 3979549
1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118673230

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone (CID 7312959) is [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone is CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1.
What is the InChIKey of [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is QTTIYMOFSPKBAW-NIDLKEISSA-N. The full InChI is InChI=1S/C26H28N2O/c1-4-23-19(3)25(27-21-10-6-5-7-11-21)22-12-8-9-13-24(22)28(23)26(29)20-16-14-18(2)15-17-20/h5-17,19,23,25,27H,4H2,1-3H3/t19-,23-,25+/m1/s1.
What are the key properties of [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone?
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 7312959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).