1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone

C26H27BrN2O2 — CID 3979549

IUPAC1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone
SMILESCCC1C(C)C(Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C26H27BrN2O2/c1-3-23-18(2)26(28-20-9-5-4-6-10-20)22-11-7-8-12-24(22)29(23)25(30)17-31-21-15-13-19(27)14-16-21/h4-16,18,23,26,28H,3,17H2,1-2H3
InChIKeyMFKMBRVLASGCBY-UHFFFAOYSA-N
MW479.42 g/mol
LogP6.44
Rot. Bonds6

About 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone

1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone (PubChem CID 3979549) has the molecular formula C26H27BrN2O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone
PubChem CID3979549
Molecular FormulaC26H27BrN2O2
Molecular Weight479.42 g/mol
Exact Mass478.13
IUPAC Name1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone
SMILESCCC1C(C)C(Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C26H27BrN2O2/c1-3-23-18(2)26(28-20-9-5-4-6-10-20)22-11-7-8-12-24(22)29(23)25(30)17-31-21-15-13-19(27)14-16-21/h4-16,18,23,26,28H,3,17H2,1-2H3
InChIKeyMFKMBRVLASGCBY-UHFFFAOYSA-N
XLogP6.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone with MolForge

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Related Compounds

1-[(2S,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 7335996
(2R,3S,4S)-4-anilino-2-ethyl-N-(4-methoxyphenyl)-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 44562760
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
CID 7312959
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-tert-butylphenyl)methanone
CID 7283547
[(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-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 1068528
N-[(2S,4R)-1-[2-(4-bromophenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 92957449
1-[(2S,3R)-4-anilino-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 129081342
(4-chlorophenyl)-[2-ethyl-4-(4-iodoanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 5149617
1-[(2R,3R,4R)-4-anilino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 131745647

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone?
The IUPAC name of 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone (CID 3979549) is 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone.
What is the SMILES notation for 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone?
The canonical SMILES for 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone is CCC1C(C)C(Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone?
The InChIKey is MFKMBRVLASGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O2/c1-3-23-18(2)26(28-20-9-5-4-6-10-20)22-11-7-8-12-24(22)29(23)25(30)17-31-21-15-13-19(27)14-16-21/h4-16,18,23,26,28H,3,17H2,1-2H3.
What are the key properties of 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone?
1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone has a molecular weight of 479.42 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-bromophenoxy)ethanone is sourced from PubChem (CID 3979549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).