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

C20H24N2O3S — CID 58032201

IUPAC1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C(Nc2ccc(CS(C)(=O)=O)cc2)CC1C
InChIInChI=1S/C20H24N2O3S/c1-14-12-19(18-6-4-5-7-20(18)22(14)15(2)23)21-17-10-8-16(9-11-17)13-26(3,24)25/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyIHVSVYVHJSOHQR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.53
Rot. Bonds4

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

1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 58032201) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID58032201
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C(Nc2ccc(CS(C)(=O)=O)cc2)CC1C
InChIInChI=1S/C20H24N2O3S/c1-14-12-19(18-6-4-5-7-20(18)22(14)15(2)23)21-17-10-8-16(9-11-17)13-26(3,24)25/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyIHVSVYVHJSOHQR-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25254317
1-[(2R,4S)-4-(3,5-dichloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 10269267
1-[4-(3,5-dichloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182587
1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182590
1-[2-methyl-4-(2-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253600
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
1-[4-(3-chloro-4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139907900
1-[4-(2-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182571
1-[(2R,4S)-4-(3,5-dimethyl-4-phenylmethoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 10223541
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]methylamino]acetamide
CID 153347821

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 58032201) is 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccccc2C(Nc2ccc(CS(C)(=O)=O)cc2)CC1C.
What is the InChIKey of 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is IHVSVYVHJSOHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-12-19(18-6-4-5-7-20(18)22(14)15(2)23)21-17-10-8-16(9-11-17)13-26(3,24)25/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 372.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[4-(methylsulfonylmethyl)anilino]-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 58032201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).