N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide

C16H21N3OS — CID 161259110

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C16H21N3OS/c1-4-19(11-10-18(2)3)16(20)13-7-8-14(21)15-12(13)6-5-9-17-15/h5-9,21H,4,10-11H2,1-3H3
InChIKeyVCHYJILKBOXLEH-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide (PubChem CID 161259110) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
PubChem CID161259110
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ccc(S)c2ncccc12
InChIInChI=1S/C16H21N3OS/c1-4-19(11-10-18(2)3)16(20)13-7-8-14(21)15-12(13)6-5-9-17-15/h5-9,21H,4,10-11H2,1-3H3
InChIKeyVCHYJILKBOXLEH-UHFFFAOYSA-N
XLogP2.55
TPSA36.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[(8-sulfanylquinolin-5-yl)methyl]acetamide
CID 153373939
N-benzyl-N-propan-2-yl-8-sulfanylquinoline-5-carboxamide
CID 159978854
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
3-phenyl-1-(8-sulfanylquinolin-5-yl)propan-1-one
CID 157109723
5-phenyl-1-(8-sulfanylquinolin-5-yl)pentan-1-one
CID 161319830
N-(2-amino-2-oxoethyl)-4-oxo-4-(8-sulfanylquinolin-5-yl)butanamide
CID 158160980
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
CID 63614113
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
N-[2-(dimethylamino)ethyl]-N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88537773
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
CID 95281732
3-amino-N-[3-(dimethylamino)propyl]-2-ethoxy-N-ethylbenzamide
CID 102990804

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide (CID 161259110) is N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide is CCN(CCN(C)C)C(=O)c1ccc(S)c2ncccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide?
The InChIKey is VCHYJILKBOXLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-19(11-10-18(2)3)16(20)13-7-8-14(21)15-12(13)6-5-9-17-15/h5-9,21H,4,10-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-8-sulfanylquinoline-5-carboxamide is sourced from PubChem (CID 161259110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).