2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide

C23H29N3O4S — CID 123635348

IUPAC2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
SMILESCC(=O)N1c2ccc(-c3ccc(NS(C)=O)cc3)c(OCC(=O)N(C)C)c2CCC1C
InChIInChI=1S/C23H29N3O4S/c1-15-6-11-20-21(26(15)16(2)27)13-12-19(23(20)30-14-22(28)25(3)4)17-7-9-18(10-8-17)24-31(5)29/h7-10,12-13,15,24H,6,11,14H2,1-5H3
InChIKeyYDGMBWHBRDEYSF-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.21
Rot. Bonds6

About 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide

2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide (PubChem CID 123635348) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
PubChem CID123635348
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
SMILESCC(=O)N1c2ccc(-c3ccc(NS(C)=O)cc3)c(OCC(=O)N(C)C)c2CCC1C
InChIInChI=1S/C23H29N3O4S/c1-15-6-11-20-21(26(15)16(2)27)13-12-19(23(20)30-14-22(28)25(3)4)17-7-9-18(10-8-17)24-31(5)29/h7-10,12-13,15,24H,6,11,14H2,1-5H3
InChIKeyYDGMBWHBRDEYSF-UHFFFAOYSA-N
XLogP3.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[[1-acetyl-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
CID 123966437
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide
CID 118076369
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide
CID 118075564
1-[(2S)-2-methyl-6-[4-(methylsulfonylmethyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 153271502
methyl (2S)-5-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118076101
2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-1-morpholin-4-ylethanone
CID 118075906
1-[5-(cyclopentylmethoxy)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123720509
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-methylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123614252
1-[(2S)-5-(cyclohexylmethoxy)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118076338
(5R)-5-[[(2S)-1-acetyl-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118086229
1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123709016
1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086281

Frequently Asked Questions

What is the IUPAC name of 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide (CID 123635348) is 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide is CC(=O)N1c2ccc(-c3ccc(NS(C)=O)cc3)c(OCC(=O)N(C)C)c2CCC1C.
What is the InChIKey of 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is YDGMBWHBRDEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15-6-11-20-21(26(15)16(2)27)13-12-19(23(20)30-14-22(28)25(3)4)17-7-9-18(10-8-17)24-31(5)29/h7-10,12-13,15,24H,6,11,14H2,1-5H3.
What are the key properties of 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide?
2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 443.57 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 123635348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).