2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide

C18H19N3O2S — CID 119034175

IUPAC2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC(CO)c2ccsc2)c2ccccc2n1
InChIInChI=1S/C18H19N3O2S/c1-21(2)17-9-14(13-5-3-4-6-15(13)19-17)18(23)20-16(10-22)12-7-8-24-11-12/h3-9,11,16,22H,10H2,1-2H3,(H,20,23)
InChIKeySIXDWRCXTWCKBX-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.83
Rot. Bonds5

About 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide

2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide (PubChem CID 119034175) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
PubChem CID119034175
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC(CO)c2ccsc2)c2ccccc2n1
InChIInChI=1S/C18H19N3O2S/c1-21(2)17-9-14(13-5-3-4-6-15(13)19-17)18(23)20-16(10-22)12-7-8-24-11-12/h3-9,11,16,22H,10H2,1-2H3,(H,20,23)
InChIKeySIXDWRCXTWCKBX-UHFFFAOYSA-N
XLogP2.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
CID 124854885
2-(dimethylamino)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 126814447
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 22146632
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 164635754
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
2-anilino-2-thiophen-3-ylethanol
CID 61046971
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide (CID 119034175) is 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide is CN(C)c1cc(C(=O)NC(CO)c2ccsc2)c2ccccc2n1.
What is the InChIKey of 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide?
The InChIKey is SIXDWRCXTWCKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21(2)17-9-14(13-5-3-4-6-15(13)19-17)18(23)20-16(10-22)12-7-8-24-11-12/h3-9,11,16,22H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide?
2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 119034175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).