2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

C21H30ClN3O4S — CID 56677041

IUPAC2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)
InChIKeyFOTKDIPZHXYRCS-UHFFFAOYSA-N
MW456.01 g/mol
LogP2.62
Rot. Bonds7

About 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide

2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (PubChem CID 56677041) has the molecular formula C21H30ClN3O4S and a molecular weight of 456.01 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
PubChem CID56677041
Molecular FormulaC21H30ClN3O4S
Molecular Weight456.01 g/mol
Exact Mass455.16
IUPAC Name2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
SMILESCC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26)
InChIKeyFOTKDIPZHXYRCS-UHFFFAOYSA-N
XLogP2.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.01
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide with MolForge

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Related Compounds

N-((2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl)-2-methylpropane-1-sulfonamide
CID 91827372
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56666779
2-(5-chloro-2,3-dihydroindol-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 57345520
6-Chloro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404235
(2S)-N-(3-chlorophenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 60210911
N-(4-Chloro-2-methylphenyl)-2-(N-methyl1-acetyl-1,2,3,4-tetrahydroquinoline-6-sulfonamido)acetamide
CID 16031846
N-[[4-[2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)ethylamino]cyclohexyl]methyl]propane-2-sulfonamide
CID 56677043
N-(3-chlorophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-2-carboxamide
CID 71457917
N-[2-[4-[[5-chloro-2-(cyclopropylsulfonylamino)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]-2-(4,4-difluorocyclohexyl)acetamide
CID 145973424
1-(3-chloro-2-methylphenyl)-N-cyclohexyl-4-(ethylsulfonyl)-2-methyl-6-oxopiperazine-2-carboxamide
CID 16021414
1-(4-Chloro-2-methylphenyl)-N-cyclopentyl-2-methyl-6-oxo-4-(propane-1-sulfonyl)piperazine-2-carboxamide
CID 16021440
N-[(4-Chlorophenyl)methyl]-2-[2-oxo-6-(piperidine-1-sulfonyl)-1,2,3,4-tetrahydroquinolin-1-YL]acetamide
CID 16027715

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide (CID 56677041) is 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is CC(C)S(=O)(=O)NCC1CCC(NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
The InChIKey is FOTKDIPZHXYRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O4S/c1-14(2)30(28,29)23-12-15-3-7-18(8-4-15)24-20(26)13-25-19-9-6-17(22)11-16(19)5-10-21(25)27/h6,9,11,14-15,18,23H,3-5,7-8,10,12-13H2,1-2H3,(H,24,26).
What are the key properties of 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide?
2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide has a molecular weight of 456.01 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-3,4-dihydroquinolin-1-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 56677041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).