5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine

C14H11N3O2S — CID 60964909

IUPAC5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccsc2)c2ncccc12
InChIInChI=1S/C14H11N3O2S/c18-17(19)13-4-3-12(14-11(13)2-1-6-15-14)16-8-10-5-7-20-9-10/h1-7,9,16H,8H2
InChIKeyWJOBZLOSIWZNQF-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.82
Rot. Bonds4

About 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine

5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine (PubChem CID 60964909) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine.

Molecular Properties

Compound Name5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine
PubChem CID60964909
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccsc2)c2ncccc12
InChIInChI=1S/C14H11N3O2S/c18-17(19)13-4-3-12(14-11(13)2-1-6-15-14)16-8-10-5-7-20-9-10/h1-7,9,16H,8H2
InChIKeyWJOBZLOSIWZNQF-UHFFFAOYSA-N
XLogP3.82
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
3-methyl-8-nitro-N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 102714314
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
5-nitro-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)quinolin-8-amine
CID 133439900
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-nitroquinolin-8-amine
CID 60504130
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine?
The IUPAC name of 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine (CID 60964909) is 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine.
What is the SMILES notation for 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine?
The canonical SMILES for 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine is O=[N+]([O-])c1ccc(NCc2ccsc2)c2ncccc12.
What is the InChIKey of 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine?
The InChIKey is WJOBZLOSIWZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-17(19)13-4-3-12(14-11(13)2-1-6-15-14)16-8-10-5-7-20-9-10/h1-7,9,16H,8H2.
What are the key properties of 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine?
5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine has a molecular weight of 285.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine is sourced from PubChem (CID 60964909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).