N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide

C22H23N3O3S — CID 18366918

IUPACN-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide
SMILESN#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)C4CC4)ccc32)cc1
InChIInChI=1S/C22H23N3O3S/c23-15-17-5-3-16(4-6-17)7-12-22(26)25-13-1-2-18-14-19(8-11-21(18)25)24-29(27,28)20-9-10-20/h3-6,8,11,14,20,24H,1-2,7,9-10,12-13H2
InChIKeyCHNJKDACOQGOCW-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.37
Rot. Bonds6

About N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide

N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide (PubChem CID 18366918) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide
PubChem CID18366918
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide
SMILESN#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)C4CC4)ccc32)cc1
InChIInChI=1S/C22H23N3O3S/c23-15-17-5-3-16(4-6-17)7-12-22(26)25-13-1-2-18-14-19(8-11-21(18)25)24-29(27,28)20-9-10-20/h3-6,8,11,14,20,24H,1-2,7,9-10,12-13H2
InChIKeyCHNJKDACOQGOCW-UHFFFAOYSA-N
XLogP3.37
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 18367176
2,5-dichloro-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 18366778
4-[3-[6-(benzylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzonitrile
CID 15410779
4-[3-oxo-3-[6-(propan-2-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide;hydrochloride
CID 18367148
N-[1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-2,3-dihydroindol-5-yl]cyclopropanesulfonamide
CID 167743303
N-benzyl-N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]pentanamide
CID 18366894
4-[3-oxo-3-[6-[(2,4,6-trimethylphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide
CID 18366878
4-[3-oxo-3-[6-[(2,4,6-trimethylphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide;hydroiodide
CID 18366877
4-[3-(6-amino-4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzonitrile
CID 18367056
4-[3-oxo-3-[6-(phenylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzenecarboximidamide
CID 18367137
ethyl N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylnaphthalen-1-yl)carbamate
CID 139911330
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide (CID 18366918) is N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide is N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)C4CC4)ccc32)cc1.
What is the InChIKey of N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide?
The InChIKey is CHNJKDACOQGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c23-15-17-5-3-16(4-6-17)7-12-22(26)25-13-1-2-18-14-19(8-11-21(18)25)24-29(27,28)20-9-10-20/h3-6,8,11,14,20,24H,1-2,7,9-10,12-13H2.
What are the key properties of N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide?
N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]cyclopropanesulfonamide is sourced from PubChem (CID 18366918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).