(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C21H24N2O6S2 — CID 55661323

IUPAC(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O6S2/c1-30(25,26)19-8-9-20-17(15-19)3-2-10-23(20)21(24)16-4-6-18(7-5-16)31(27,28)22-11-13-29-14-12-22/h4-9,15H,2-3,10-14H2,1H3
InChIKeyXBQNFLADKZCSSU-UHFFFAOYSA-N
MW464.57 g/mol
LogP1.70
Rot. Bonds4

About (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 55661323) has the molecular formula C21H24N2O6S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID55661323
Molecular FormulaC21H24N2O6S2
Molecular Weight464.57 g/mol
Exact Mass464.11
IUPAC Name(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O6S2/c1-30(25,26)19-8-9-20-17(15-19)3-2-10-23(20)21(24)16-4-6-18(7-5-16)31(27,28)22-11-13-29-14-12-22/h4-9,15H,2-3,10-14H2,1H3
InChIKeyXBQNFLADKZCSSU-UHFFFAOYSA-N
XLogP1.70
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 55873184
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 47026550
methyl 4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzoate
CID 55433839
4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17440794
[4-(benzenesulfonylmethyl)phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873828
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
(4-chlorophenyl)-[6-(4-phenylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 17248057
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873819
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 71890437
[4-(difluoromethoxy)phenyl]-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17414251

Frequently Asked Questions

What is the IUPAC name of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 55661323) is (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is XBQNFLADKZCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S2/c1-30(25,26)19-8-9-20-17(15-19)3-2-10-23(20)21(24)16-4-6-18(7-5-16)31(27,28)22-11-13-29-14-12-22/h4-9,15H,2-3,10-14H2,1H3.
What are the key properties of (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 464.57 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 55661323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).