7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one

C19H19FN2O3S — CID 94635879

IUPAC7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C19H19FN2O3S/c1-12-6-7-13-4-2-3-5-17(13)22(12)26(24,25)18-10-14-8-9-19(23)21-16(14)11-15(18)20/h2-5,10-12H,6-9H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyKVJRBOANKHYFFR-LBPRGKRZSA-N
MW374.44 g/mol
LogP3.24
Rot. Bonds2

About 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 94635879) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID94635879
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C19H19FN2O3S/c1-12-6-7-13-4-2-3-5-17(13)22(12)26(24,25)18-10-14-8-9-19(23)21-16(14)11-15(18)20/h2-5,10-12H,6-9H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyKVJRBOANKHYFFR-LBPRGKRZSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500021
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
(2R,3R)-1-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105258
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
6-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170310883
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
5-(2,3-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 75449015
6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 92683798

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one (CID 94635879) is 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one is C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KVJRBOANKHYFFR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-12-6-7-13-4-2-3-5-17(13)22(12)26(24,25)18-10-14-8-9-19(23)21-16(14)11-15(18)20/h2-5,10-12H,6-9H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 94635879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).