N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide

C17H23N3OS — CID 159612824

IUPACN-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc2cccnc2c1S
InChIInChI=1S/C17H23N3OS/c1-3-20(4-2)12-6-11-19-17(21)14-9-8-13-7-5-10-18-15(13)16(14)22/h5,7-10,22H,3-4,6,11-12H2,1-2H3,(H,19,21)
InChIKeyMMXMACVFGFYXAI-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.99
Rot. Bonds7

About N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide

N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide (PubChem CID 159612824) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide
PubChem CID159612824
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccc2cccnc2c1S
InChIInChI=1S/C17H23N3OS/c1-3-20(4-2)12-6-11-19-17(21)14-9-8-13-7-5-10-18-15(13)16(14)22/h5,7-10,22H,3-4,6,11-12H2,1-2H3,(H,19,21)
InChIKeyMMXMACVFGFYXAI-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide
CID 559588
1-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621175
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-[(3-butoxyphenyl)methyl-ethylamino]propyl]-4-(quinolin-8-ylsulfanylamino)benzamide
CID 146321535
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]heptyl]quinoline-7-carboxamide
CID 10419033
8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide (CID 159612824) is N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide is CCN(CC)CCCNC(=O)c1ccc2cccnc2c1S.
What is the InChIKey of N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide?
The InChIKey is MMXMACVFGFYXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-3-20(4-2)12-6-11-19-17(21)14-9-8-13-7-5-10-18-15(13)16(14)22/h5,7-10,22H,3-4,6,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide?
N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-8-sulfanylquinoline-7-carboxamide is sourced from PubChem (CID 159612824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).