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

C24H23ClN2O2 — CID 2238093

IUPAC1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone
SMILESC[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-17-15-21(26-18-9-3-2-4-10-18)19-11-5-7-13-22(19)27(17)24(28)16-29-23-14-8-6-12-20(23)25/h2-14,17,21,26H,15-16H2,1H3/t17-,21-/m0/s1
InChIKeyFZVBKTHURJKGCV-UWJYYQICSA-N
MW406.91 g/mol
LogP5.70
Rot. Bonds5

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

1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone (PubChem CID 2238093) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone
PubChem CID2238093
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone
SMILESC[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-17-15-21(26-18-9-3-2-4-10-18)19-11-5-7-13-22(19)27(17)24(28)16-29-23-14-8-6-12-20(23)25/h2-14,17,21,26H,15-16H2,1H3/t17-,21-/m0/s1
InChIKeyFZVBKTHURJKGCV-UWJYYQICSA-N
XLogP5.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 1068528
1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1341342
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
CID 3613081
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-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 6545672
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
1-[2-methyl-4-[(6-methyl-3-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548227
1-adamantyl-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 29056322
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone?
The IUPAC name of 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone (CID 2238093) is 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone.
What is the SMILES notation for 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone?
The canonical SMILES for 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone is C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1Cl.
What is the InChIKey of 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone?
The InChIKey is FZVBKTHURJKGCV-UWJYYQICSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-17-15-21(26-18-9-3-2-4-10-18)19-11-5-7-13-22(19)27(17)24(28)16-29-23-14-8-6-12-20(23)25/h2-14,17,21,26H,15-16H2,1H3/t17-,21-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone?
1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone has a molecular weight of 406.91 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(2-chlorophenoxy)ethanone is sourced from PubChem (CID 2238093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).