2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine

C23H24N2O2S — CID 588949

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3C(Nc3ccccc3)CC2C)cc1
InChIInChI=1S/C23H24N2O2S/c1-17-12-14-20(15-13-17)28(26,27)25-18(2)16-22(21-10-6-7-11-23(21)25)24-19-8-4-3-5-9-19/h3-15,18,22,24H,16H2,1-2H3
InChIKeyMEOYCLBXIFPJAP-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.14
Rot. Bonds4

About 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine

2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 588949) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID588949
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3C(Nc3ccccc3)CC2C)cc1
InChIInChI=1S/C23H24N2O2S/c1-17-12-14-20(15-13-17)28(26,27)25-18(2)16-22(21-10-6-7-11-23(21)25)24-19-8-4-3-5-9-19/h3-15,18,22,24H,16H2,1-2H3
InChIKeyMEOYCLBXIFPJAP-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 6553976
4-methyl-N-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 1108481
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
1-(4-tert-butylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 55598551
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
2-[4-[(1S,9S)-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-17-yl]phenyl]sulfanylacetic acid
CID 92905380
12-(2-methylanilino)-8-(4-methylphenyl)sulfonyl-8-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-one
CID 162403630
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 713549
(4aS,9aS)-9-(4-methylphenyl)sulfonyl-3,4,4a,9a-tetrahydro-1H-carbazol-2-one
CID 15261495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine (CID 588949) is 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine is Cc1ccc(S(=O)(=O)N2c3ccccc3C(Nc3ccccc3)CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is MEOYCLBXIFPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17-12-14-20(15-13-17)28(26,27)25-18(2)16-22(21-10-6-7-11-23(21)25)24-19-8-4-3-5-9-19/h3-15,18,22,24H,16H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine?
2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 392.52 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 588949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).