N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide

C23H23ClFN3O4S — CID 20967974

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C23H23ClFN3O4S/c1-14-4-2-3-9-28(14)33(31,32)17-7-8-21-18(11-17)19(12-22(29)27-21)23(30)26-13-15-5-6-16(25)10-20(15)24/h5-8,10-12,14H,2-4,9,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyMVMHLICPWWCMGH-UHFFFAOYSA-N
MW491.97 g/mol
LogP3.81
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 20967974) has the molecular formula C23H23ClFN3O4S and a molecular weight of 491.97 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID20967974
Molecular FormulaC23H23ClFN3O4S
Molecular Weight491.97 g/mol
Exact Mass491.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3Cl)c2c1
InChIInChI=1S/C23H23ClFN3O4S/c1-14-4-2-3-9-28(14)33(31,32)17-7-8-21-18(11-17)19(12-22(29)27-21)23(30)26-13-15-5-6-16(25)10-20(15)24/h5-8,10-12,14H,2-4,9,13H2,1H3,(H,26,30)(H,27,29)
InChIKeyMVMHLICPWWCMGH-UHFFFAOYSA-N
XLogP3.81
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.97
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-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

6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinoline-4-carboxamide
CID 15994470
6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 118553851
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 94850221
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 98339895
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 92696195
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 92696194
6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-quinoline-4-carboxamide
CID 98477613
N-[3-(N-butylanilino)propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448135
N-[3-[benzyl(butyl)amino]propyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 129448141
6-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 5323312
N-[(2-methoxyphenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 92695948
6-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 15996678

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide (CID 20967974) is N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide is CC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3Cl)c2c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is MVMHLICPWWCMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O4S/c1-14-4-2-3-9-28(14)33(31,32)17-7-8-21-18(11-17)19(12-22(29)27-21)23(30)26-13-15-5-6-16(25)10-20(15)24/h5-8,10-12,14H,2-4,9,13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 491.97 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 20967974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).