6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C24H27N3O4S — CID 15995487

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)CC1
InChIInChI=1S/C24H27N3O4S/c1-17-10-13-27(14-11-17)32(30,31)19-7-8-22-20(15-19)23(28)21(16-26-22)24(29)25-12-9-18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyHGQDXZXVMKJKOX-UHFFFAOYSA-N
MW453.56 g/mol
LogP2.92
Rot. Bonds6

About 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 15995487) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID15995487
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)CC1
InChIInChI=1S/C24H27N3O4S/c1-17-10-13-27(14-11-17)32(30,31)19-7-8-22-20(15-19)23(28)21(16-26-22)24(29)25-12-9-18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyHGQDXZXVMKJKOX-UHFFFAOYSA-N
XLogP2.92
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-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

6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-methylbutyl)-4-oxo-1H-quinoline-3-carboxamide
CID 15999163
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide
CID 15999451
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
4-(4-aminopiperidin-1-yl)sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
CID 71060085
6-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 4054888
9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813773
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 15995487) is 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HGQDXZXVMKJKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-17-10-13-27(14-11-17)32(30,31)19-7-8-22-20(15-19)23(28)21(16-26-22)24(29)25-12-9-18-5-3-2-4-6-18/h2-8,15-17H,9-14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 15995487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).