1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

C25H29N3O4S — CID 93058972

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)N1CCc2ccccc21
InChIInChI=1S/C25H29N3O4S/c1-18-6-4-5-14-28(18)33(31,32)21-10-11-23-20(16-21)9-12-24(29)27(23)17-25(30)26-15-13-19-7-2-3-8-22(19)26/h2-3,7-8,10-11,16,18H,4-6,9,12-15,17H2,1H3/t18-/m1/s1
InChIKeySMSYKAGLTDCRHQ-GOSISDBHSA-N
MW467.59 g/mol
LogP3.12
Rot. Bonds4

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (PubChem CID 93058972) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
PubChem CID93058972
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)N1CCc2ccccc21
InChIInChI=1S/C25H29N3O4S/c1-18-6-4-5-14-28(18)33(31,32)21-10-11-23-20(16-21)9-12-24(29)27(23)17-25(30)26-15-13-19-7-2-3-8-22(19)26/h2-3,7-8,10-11,16,18H,4-6,9,12-15,17H2,1H3/t18-/m1/s1
InChIKeySMSYKAGLTDCRHQ-GOSISDBHSA-N
XLogP3.12
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794801
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15997303
N-(3,4-dimethylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794821
N-(3-ethylphenyl)-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059004
N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059040
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794767
2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 94079563
N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 93059020
N-[(4-methoxyphenyl)methyl]-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794787
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
CID 50794794
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 75456510
1-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 119055284

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (CID 93058972) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
The InChIKey is SMSYKAGLTDCRHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-18-6-4-5-14-28(18)33(31,32)21-10-11-23-20(16-21)9-12-24(29)27(23)17-25(30)26-15-13-19-7-2-3-8-22(19)26/h2-3,7-8,10-11,16,18H,4-6,9,12-15,17H2,1H3/t18-/m1/s1.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one has a molecular weight of 467.59 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 93058972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).