1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C20H24N2O — CID 118660542

IUPAC1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@H](Nc2cccc(C)c2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C20H24N2O/c1-13-8-7-9-17(12-13)21-20-14(2)15(3)22(16(4)23)19-11-6-5-10-18(19)20/h5-12,14-15,20-21H,1-4H3/t14-,15-,20+/m0/s1
InChIKeyMWMDWIPEFFJYAF-AUSJPIAWSA-N
MW308.43 g/mol
LogP4.54
Rot. Bonds2

About 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118660542) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118660542
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2[C@H](Nc2cccc(C)c2)[C@@H](C)[C@@H]1C
InChIInChI=1S/C20H24N2O/c1-13-8-7-9-17(12-13)21-20-14(2)15(3)22(16(4)23)19-11-6-5-10-18(19)20/h5-12,14-15,20-21H,1-4H3/t14-,15-,20+/m0/s1
InChIKeyMWMDWIPEFFJYAF-AUSJPIAWSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118673230
1-[(2S,3R)-2,3-dimethyl-4-[(5-methylpyrazin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 130199756
1-[2-cyclopropyl-4-(3-fluoroanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123671063
1-[(2S,3R,4R)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;formic acid
CID 118659989
1-[(2S,3R,4R)-6-(4-aminopiperidin-1-yl)-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472011
(2S,3R,4R)-1-acetyl-4-[3-(2-hydroxyethoxy)anilino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 167025280
1-[(2S,3R)-2-cyclopropyl-4-(4-fluoroanilino)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081475
(2S,3R,4R)-1-acetyl-2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434845
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
(6S)-5-acetyl-8-anilino-6,7-dimethyl-1,6,7,8-tetrahydro-1,5-naphthyridin-2-one
CID 148858495
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
CID 7312959
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-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118660542) is 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccccc2[C@H](Nc2cccc(C)c2)[C@@H](C)[C@@H]1C.
What is the InChIKey of 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is MWMDWIPEFFJYAF-AUSJPIAWSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-8-7-9-17(12-13)21-20-14(2)15(3)22(16(4)23)19-11-6-5-10-18(19)20/h5-12,14-15,20-21H,1-4H3/t14-,15-,20+/m0/s1.
What are the key properties of 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,4R)-2,3-dimethyl-4-(3-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118660542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).