[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone

C19H21NO3S — CID 95898234

IUPAC[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1c2ccccc2CC[C@H]1C
InChIInChI=1S/C19H21NO3S/c1-13-8-11-16(24(3,22)23)12-17(13)19(21)20-14(2)9-10-15-6-4-5-7-18(15)20/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyTYPXBSKASJYWMZ-CQSZACIVSA-N
MW343.45 g/mol
LogP3.38
Rot. Bonds2

About [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone

[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone (PubChem CID 95898234) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
PubChem CID95898234
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N1c2ccccc2CC[C@H]1C
InChIInChI=1S/C19H21NO3S/c1-13-8-11-16(24(3,22)23)12-17(13)19(21)20-14(2)9-10-15-6-4-5-7-18(15)20/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyTYPXBSKASJYWMZ-CQSZACIVSA-N
XLogP3.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940847
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112766000
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376
(5-fluoro-2,4-dihydroxyphenyl)-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024642
1-benzofuran-2-yl-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112765907
(2-bromo-3-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103758948
(3-bromo-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107517677
(5-amino-1H-pyrazol-4-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43337139
(3-fluoro-4-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115645498
(3S)-2-(2-methyl-5-methylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94868099
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 114679861
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62081386

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The IUPAC name of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone (CID 95898234) is [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone.
What is the SMILES notation for [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The canonical SMILES for [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone is Cc1ccc(S(C)(=O)=O)cc1C(=O)N1c2ccccc2CC[C@H]1C.
What is the InChIKey of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
The InChIKey is TYPXBSKASJYWMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13-8-11-16(24(3,22)23)12-17(13)19(21)20-14(2)9-10-15-6-4-5-7-18(15)20/h4-8,11-12,14H,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone?
[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone has a molecular weight of 343.45 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone is sourced from PubChem (CID 95898234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).