8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine

C14H13N3S — CID 55173328

IUPAC8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCc2ccsc2)c2ncccc12
InChIInChI=1S/C14H13N3S/c15-12-3-4-13(14-11(12)2-1-6-16-14)17-8-10-5-7-18-9-10/h1-7,9,17H,8,15H2
InChIKeyIGZMICPIGCWGCF-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.49
Rot. Bonds3

About 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine

8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine (PubChem CID 55173328) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
PubChem CID55173328
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCc2ccsc2)c2ncccc12
InChIInChI=1S/C14H13N3S/c15-12-3-4-13(14-11(12)2-1-6-16-14)17-8-10-5-7-18-9-10/h1-7,9,17H,8,15H2
InChIKeyIGZMICPIGCWGCF-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 60964909
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
4-N-(thiophen-3-ylmethyl)-9H-carbazole-1,4-diamine
CID 68824484
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091

Frequently Asked Questions

What is the IUPAC name of 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine (CID 55173328) is 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine is Nc1ccc(NCc2ccsc2)c2ncccc12.
What is the InChIKey of 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine?
The InChIKey is IGZMICPIGCWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-12-3-4-13(14-11(12)2-1-6-16-14)17-8-10-5-7-18-9-10/h1-7,9,17H,8,15H2.
What are the key properties of 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine?
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine has a molecular weight of 255.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 55173328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).