7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C23H20ClF2NO4S — CID 118343214

IUPAC7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(S(=O)(=O)N2CCCc3ccc(OCc4c(F)cccc4Cl)cc32)ccc1F
InChIInChI=1S/C23H20ClF2NO4S/c1-30-23-13-17(9-10-21(23)26)32(28,29)27-11-3-4-15-7-8-16(12-22(15)27)31-14-18-19(24)5-2-6-20(18)25/h2,5-10,12-13H,3-4,11,14H2,1H3
InChIKeyKAYMAYSNRVTCRT-UHFFFAOYSA-N
MW479.93 g/mol
LogP5.35
Rot. Bonds6

About 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline

7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 118343214) has the molecular formula C23H20ClF2NO4S and a molecular weight of 479.93 g/mol. Its IUPAC name is 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID118343214
Molecular FormulaC23H20ClF2NO4S
Molecular Weight479.93 g/mol
Exact Mass479.08
IUPAC Name7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1cc(S(=O)(=O)N2CCCc3ccc(OCc4c(F)cccc4Cl)cc32)ccc1F
InChIInChI=1S/C23H20ClF2NO4S/c1-30-23-13-17(9-10-21(23)26)32(28,29)27-11-3-4-15-7-8-16(12-22(15)27)31-14-18-19(24)5-2-6-20(18)25/h2,5-10,12-13H,3-4,11,14H2,1H3
InChIKeyKAYMAYSNRVTCRT-UHFFFAOYSA-N
XLogP5.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.93
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

methyl 3-[(3S)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-2,2-dimethylpropanoate
CID 118348715
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(1-ethoxyethenyl)-1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 123286736
7-[(2-chloro-6-cyclopropylphenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 123957617
(3R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 126662519
N-[[(2R,3S)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-1-en-2-amine
CID 144958350
(2R)-7-[(2-chloro-6-fluorophenyl)methoxy]-3-(1-ethoxyethenyl)-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 144958651
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(1-ethoxyethenyl)-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 123668244
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
7-[(2-chloro-6-fluorophenyl)methoxy]-3-ethyl-1-(3-methoxy-4-methylphenyl)sulfonyl-2-methyl-2H-quinoline
CID 123469627
N-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-formylphenyl]-3-methoxy-4-methylbenzenesulfonamide
CID 123193467
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
7-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1-[3-(1,1-difluoroethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 144958616

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 118343214) is 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1cc(S(=O)(=O)N2CCCc3ccc(OCc4c(F)cccc4Cl)cc32)ccc1F.
What is the InChIKey of 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is KAYMAYSNRVTCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2NO4S/c1-30-23-13-17(9-10-21(23)26)32(28,29)27-11-3-4-15-7-8-16(12-22(15)27)31-14-18-19(24)5-2-6-20(18)25/h2,5-10,12-13H,3-4,11,14H2,1H3.
What are the key properties of 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 479.93 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118343214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).