N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C21H33N3O3S — CID 78848292

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN(CCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-23(19-9-4-3-5-10-19)14-7-13-22-21(25)18-11-12-20-17(16-18)8-6-15-24(20)28(2,26)27/h11-12,16,19H,3-10,13-15H2,1-2H3,(H,22,25)
InChIKeyUFPNXACRPFHZPW-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.78
Rot. Bonds7

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 78848292) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID78848292
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN(CCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C21H33N3O3S/c1-23(19-9-4-3-5-10-19)14-7-13-22-21(25)18-11-12-20-17(16-18)8-6-15-24(20)28(2,26)27/h11-12,16,19H,3-10,13-15H2,1-2H3,(H,22,25)
InChIKeyUFPNXACRPFHZPW-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-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

1-methylsulfonyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 46476297
N-(3-cyclopentylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38857095
N-(2-aminoethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119382985
N-(2-cyclohexylethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46481193
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
N-[2-(cycloheptylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119619904
N-[4-(4-ethylpiperazin-1-yl)butyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78871163
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78832998
N-(3-amino-2-methylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119995968

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 78848292) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is CN(CCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is UFPNXACRPFHZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-23(19-9-4-3-5-10-19)14-7-13-22-21(25)18-11-12-20-17(16-18)8-6-15-24(20)28(2,26)27/h11-12,16,19H,3-10,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 78848292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).