N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine

C16H18N4S — CID 107783164

IUPACN-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2nc1Sc1ncc[nH]1
InChIInChI=1S/C16H18N4S/c1-2-7-17-11-13-10-12-5-3-4-6-14(12)20-15(13)21-16-18-8-9-19-16/h3-6,8-10,17H,2,7,11H2,1H3,(H,18,19)
InChIKeyUQZARZMSSRXMAI-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.61
Rot. Bonds6

About N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine

N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine (PubChem CID 107783164) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
PubChem CID107783164
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc2ccccc2nc1Sc1ncc[nH]1
InChIInChI=1S/C16H18N4S/c1-2-7-17-11-13-10-12-5-3-4-6-14(12)20-15(13)21-16-18-8-9-19-16/h3-6,8-10,17H,2,7,11H2,1H3,(H,18,19)
InChIKeyUQZARZMSSRXMAI-UHFFFAOYSA-N
XLogP3.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(2-propan-2-ylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 55238495
N-[[2-(3-methylbutan-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 107761589
N-[[2-(2-methylpropylsulfanyl)quinolin-3-yl]methyl]propan-1-amine
CID 63808487
N-[(2-pentylsulfanylquinolin-3-yl)methyl]propan-1-amine
CID 107761456
N-[[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 114001114
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
N-[[2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 107783150
N-methyl-1-(2-pyridin-2-ylsulfanylquinolin-3-yl)methanamine
CID 63805461
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
N-(quinolino[3,2-a]acridin-6-ylmethyl)propan-1-amine
CID 15546843
[3-(1H-imidazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 107782372
2-(1H-imidazol-2-ylsulfanyl)-3-(trifluoromethyl)quinoxaline
CID 16753263

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine (CID 107783164) is N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine is CCCNCc1cc2ccccc2nc1Sc1ncc[nH]1.
What is the InChIKey of N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
The InChIKey is UQZARZMSSRXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-7-17-11-13-10-12-5-3-4-6-14(12)20-15(13)21-16-18-8-9-19-16/h3-6,8-10,17H,2,7,11H2,1H3,(H,18,19).
What are the key properties of N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine?
N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine has a molecular weight of 298.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-imidazol-2-ylsulfanyl)quinolin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107783164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).