[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium

C19H24N3O3S+ — CID 2438564

IUPAC[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-14(21-13-15-8-10-17(11-9-15)26(20,24)25)19(23)22-12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11,14,21H,4,6,12-13H2,1H3,(H2,20,24,25)/p+1/t14-/m1/s1
InChIKeyCEOPULAWYMEXMO-CQSZACIVSA-O
MW374.49 g/mol
LogP0.77
Rot. Bonds5

About [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium (PubChem CID 2438564) has the molecular formula C19H24N3O3S+ and a molecular weight of 374.49 g/mol. Its IUPAC name is [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium
PubChem CID2438564
Molecular FormulaC19H24N3O3S+
Molecular Weight374.49 g/mol
Exact Mass374.15
IUPAC Name[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-14(21-13-15-8-10-17(11-9-15)26(20,24)25)19(23)22-12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11,14,21H,4,6,12-13H2,1H3,(H2,20,24,25)/p+1/t14-/m1/s1
InChIKeyCEOPULAWYMEXMO-CQSZACIVSA-O
XLogP0.77
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium with MolForge

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Related Compounds

(2S)-2-amino-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one;hydrochloride
CID 119294288
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9440585
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one
CID 24710591
4-[[[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]amino]methyl]benzenesulfonamide
CID 108834809
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
2,3-dimethyl-4-oxo-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)butanoic acid
CID 103498667
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N'-hydroxy-2-methyl-3-oxo-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069839
4-[2-[2-(2-methylpropanoyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl]-2-oxoethoxy]benzenesulfonamide
CID 110074392
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 18134740

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium (CID 2438564) is [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium is C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium?
The InChIKey is CEOPULAWYMEXMO-CQSZACIVSA-O. The full InChI is InChI=1S/C19H23N3O3S/c1-14(21-13-15-8-10-17(11-9-15)26(20,24)25)19(23)22-12-4-6-16-5-2-3-7-18(16)22/h2-3,5,7-11,14,21H,4,6,12-13H2,1H3,(H2,20,24,25)/p+1/t14-/m1/s1.
What are the key properties of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium?
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium has a molecular weight of 374.49 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(4-sulfamoylphenyl)methyl]azanium is sourced from PubChem (CID 2438564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).