(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C19H19ClN2O2S — CID 51935811

IUPAC(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-12-10-14(19(21)24)13-6-2-4-8-16(13)22(12)18(23)11-25-17-9-5-3-7-15(17)20/h2-9,12,14H,10-11H2,1H3,(H2,21,24)/t12-,14-/m0/s1
InChIKeyZMCYQNGRCAMYKP-JSGCOSHPSA-N
MW374.89 g/mol
LogP3.83
Rot. Bonds4

About (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 51935811) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID51935811
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESC[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-12-10-14(19(21)24)13-6-2-4-8-16(13)22(12)18(23)11-25-17-9-5-3-7-15(17)20/h2-9,12,14H,10-11H2,1H3,(H2,21,24)/t12-,14-/m0/s1
InChIKeyZMCYQNGRCAMYKP-JSGCOSHPSA-N
XLogP3.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-(2,4-dichloro-5-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51935821
(2S,4S)-1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51935791
1-(2-amino-2-oxoethyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 167920926
2-methyl-1-(5-methylpyrazine-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 71943051
(2S,4S)-2-methyl-1-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95584191
(2R,4S)-1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 124856955
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
1-[2-(2-chlorophenyl)sulfanylacetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119308
(2S,4R)-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51935797
(2R,4S)-1-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 51935794

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 51935811) is (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is C[C@H]1C[C@H](C(N)=O)c2ccccc2N1C(=O)CSc1ccccc1Cl.
What is the InChIKey of (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is ZMCYQNGRCAMYKP-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-12-10-14(19(21)24)13-6-2-4-8-16(13)22(12)18(23)11-25-17-9-5-3-7-15(17)20/h2-9,12,14H,10-11H2,1H3,(H2,21,24)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 51935811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).