methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate

C19H20ClNO4S — CID 59483850

IUPACmethyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate
SMILESCOC(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1c(C)cccc1Cl)CCC2
InChIInChI=1S/C19H20ClNO4S/c1-13-5-3-7-16(20)19(13)26(23,24)21-10-4-6-15-9-8-14(11-17(15)21)12-18(22)25-2/h3,5,7-9,11H,4,6,10,12H2,1-2H3
InChIKeyUNIAZDCPJCERHQ-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.51
Rot. Bonds4

About methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate

methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate (PubChem CID 59483850) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate
PubChem CID59483850
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Namemethyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate
SMILESCOC(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1c(C)cccc1Cl)CCC2
InChIInChI=1S/C19H20ClNO4S/c1-13-5-3-7-16(20)19(13)26(23,24)21-10-4-6-15-9-8-14(11-17(15)21)12-18(22)25-2/h3,5,7-9,11H,4,6,10,12H2,1-2H3
InChIKeyUNIAZDCPJCERHQ-UHFFFAOYSA-N
XLogP3.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate with MolForge

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Related Compounds

2-[1-(2,6-dichloro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetic acid
CID 59483796
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]acetic acid
CID 59483826
1-(2-chloro-6-fluorophenyl)-2-[1-(2-chloro-4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159768854
1-(2-cyclobutyl-2,8-diazaspiro[4.5]decan-8-yl)-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 46897095
1-(2,6-dichlorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 161114555
1-(2,6-difluorophenyl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159962805
6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 70866228
[2-chloro-4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 59627663
[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]methanamine
CID 70850537
N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 43990420
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-chlorobenzamide
CID 18565097
7-methoxy-1-[(2-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinoline
CID 110749898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate?
The IUPAC name of methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate (CID 59483850) is methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate is COC(=O)Cc1ccc2c(c1)N(S(=O)(=O)c1c(C)cccc1Cl)CCC2.
What is the InChIKey of methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate?
The InChIKey is UNIAZDCPJCERHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c1-13-5-3-7-16(20)19(13)26(23,24)21-10-4-6-15-9-8-14(11-17(15)21)12-18(22)25-2/h3,5,7-9,11H,4,6,10,12H2,1-2H3.
What are the key properties of methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate?
methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate has a molecular weight of 393.89 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]acetate is sourced from PubChem (CID 59483850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).