N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide

C23H35N3OS — CID 51062489

IUPACN-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide
SMILESCCCCCCCCCCCCSc1cc(NC(C)=O)c2ncccc2c1N
InChIInChI=1S/C23H35N3OS/c1-3-4-5-6-7-8-9-10-11-12-16-28-21-17-20(26-18(2)27)23-19(22(21)24)14-13-15-25-23/h13-15,17H,3-12,16,24H2,1-2H3,(H,26,27)
InChIKeyXSLIYNACPWTSAF-UHFFFAOYSA-N
MW401.62 g/mol
LogP6.79
Rot. Bonds13

About N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide

N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide (PubChem CID 51062489) has the molecular formula C23H35N3OS and a molecular weight of 401.62 g/mol. Its IUPAC name is N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide
PubChem CID51062489
Molecular FormulaC23H35N3OS
Molecular Weight401.62 g/mol
Exact Mass401.25
IUPAC NameN-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide
SMILESCCCCCCCCCCCCSc1cc(NC(C)=O)c2ncccc2c1N
InChIInChI=1S/C23H35N3OS/c1-3-4-5-6-7-8-9-10-11-12-16-28-21-17-20(26-18(2)27)23-19(22(21)24)14-13-15-25-23/h13-15,17H,3-12,16,24H2,1-2H3,(H,26,27)
InChIKeyXSLIYNACPWTSAF-UHFFFAOYSA-N
XLogP6.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.62
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl N-[8-(1,10-phenanthrolin-5-ylsulfanyl)octyl]carbamate;molecular hydrogen
CID 142565649
N-(3-propylsulfanyl-2-pyridinyl)acetamide
CID 67868236
N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride
CID 67868235
N-[5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-6-methylsulfanylquinolin-8-yl]acetamide
CID 68540122
S-octyl 2-(5-chloroquinolin-8-yl)oxyethanethioate
CID 23180345
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
8-(1,10-phenanthrolin-5-ylsulfanyl)octyl N-(3-trimethoxysilylpropyl)carbamate
CID 155602685
2-N-(5-chloroquinolin-8-yl)octane-1,2-diamine
CID 116783677
2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
CID 15015989
methyl 3-(8-aminoquinolin-5-yl)sulfanylpropanoate
CID 43617645
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide?
The IUPAC name of N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide (CID 51062489) is N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide.
What is the SMILES notation for N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide?
The canonical SMILES for N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide is CCCCCCCCCCCCSc1cc(NC(C)=O)c2ncccc2c1N.
What is the InChIKey of N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide?
The InChIKey is XSLIYNACPWTSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3OS/c1-3-4-5-6-7-8-9-10-11-12-16-28-21-17-20(26-18(2)27)23-19(22(21)24)14-13-15-25-23/h13-15,17H,3-12,16,24H2,1-2H3,(H,26,27).
What are the key properties of N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide?
N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide has a molecular weight of 401.62 g/mol, XLogP of 6.79, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-dodecylsulfanylquinolin-8-yl)acetamide is sourced from PubChem (CID 51062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).