(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one

C21H24N2O4S — CID 7126501

IUPAC(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-3-4-16-11-18(27-2)7-10-20(16)23(14)28(25,26)19-8-5-15(6-9-19)17-12-21(24)22-13-17/h5-11,14,17H,3-4,12-13H2,1-2H3,(H,22,24)/t14-,17+/m0/s1
InChIKeyGZUBFRUKQBOUMJ-WMLDXEAASA-N
MW400.50 g/mol
LogP2.83
Rot. Bonds4

About (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one

(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 7126501) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID7126501
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1
InChIInChI=1S/C21H24N2O4S/c1-14-3-4-16-11-18(27-2)7-10-20(16)23(14)28(25,26)19-8-5-15(6-9-19)17-12-21(24)22-13-17/h5-11,14,17H,3-4,12-13H2,1-2H3,(H,22,24)/t14-,17+/m0/s1
InChIKeyGZUBFRUKQBOUMJ-WMLDXEAASA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 7320788
5-bromo-1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239527
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 17262758
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
(4S)-4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
CID 1258060
methyl 5-[(6-cyclopropyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxybenzoate
CID 138518124
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 123213278
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one (CID 7126501) is (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one is COc1ccc2c(c1)CC[C@H](C)N2S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1.
What is the InChIKey of (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is GZUBFRUKQBOUMJ-WMLDXEAASA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-14-3-4-16-11-18(27-2)7-10-20(16)23(14)28(25,26)19-8-5-15(6-9-19)17-12-21(24)22-13-17/h5-11,14,17H,3-4,12-13H2,1-2H3,(H,22,24)/t14-,17+/m0/s1.
What are the key properties of (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one?
(4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 400.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-[[(2S)-6-methoxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 7126501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).