dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium

C18H20N3OS+ — CID 2474988

IUPACdimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2n1)c1cccs1
InChIInChI=1S/C18H19N3OS/c1-21(2)16(17-8-5-11-23-17)12-19-18(22)15-10-9-13-6-3-4-7-14(13)20-15/h3-11,16H,12H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1
InChIKeyXHQGTNMRPOYENJ-INIZCTEOSA-O
MW326.45 g/mol
LogP1.91
Rot. Bonds5

About dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium

dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium (PubChem CID 2474988) has the molecular formula C18H20N3OS+ and a molecular weight of 326.45 g/mol. Its IUPAC name is dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium
PubChem CID2474988
Molecular FormulaC18H20N3OS+
Molecular Weight326.45 g/mol
Exact Mass326.13
IUPAC Namedimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium
SMILESC[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2n1)c1cccs1
InChIInChI=1S/C18H19N3OS/c1-21(2)16(17-8-5-11-23-17)12-19-18(22)15-10-9-13-6-3-4-7-14(13)20-15/h3-11,16H,12H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1
InChIKeyXHQGTNMRPOYENJ-INIZCTEOSA-O
XLogP1.91
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoline-2-carboxamide
CID 2474991
N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
[(1S)-2-[(3-bromobenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium
CID 8504399
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-[(3-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 32958855
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
CID 39185572
dimethyl-[(1S)-2-[(3-phenoxybenzoyl)amino]-1-thiophen-2-ylethyl]azanium
CID 8504417
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium?
The IUPAC name of dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium (CID 2474988) is dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium.
What is the SMILES notation for dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium?
The canonical SMILES for dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium is C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2n1)c1cccs1.
What is the InChIKey of dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium?
The InChIKey is XHQGTNMRPOYENJ-INIZCTEOSA-O. The full InChI is InChI=1S/C18H19N3OS/c1-21(2)16(17-8-5-11-23-17)12-19-18(22)15-10-9-13-6-3-4-7-14(13)20-15/h3-11,16H,12H2,1-2H3,(H,19,22)/p+1/t16-/m0/s1.
What are the key properties of dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium?
dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium has a molecular weight of 326.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1S)-2-(quinoline-2-carbonylamino)-1-thiophen-2-ylethyl]azanium is sourced from PubChem (CID 2474988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).