8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine

C15H15N3S — CID 43450134

IUPAC8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCc2cccs2)c2ncccc12
InChIInChI=1S/C15H15N3S/c16-13-5-6-14(15-12(13)4-1-8-18-15)17-9-7-11-3-2-10-19-11/h1-6,8,10,17H,7,9,16H2
InChIKeyQDKBSWBRFRSMSM-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.53
Rot. Bonds4

About 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine

8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine (PubChem CID 43450134) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
PubChem CID43450134
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCc2cccs2)c2ncccc12
InChIInChI=1S/C15H15N3S/c16-13-5-6-14(15-12(13)4-1-8-18-15)17-9-7-11-3-2-10-19-11/h1-6,8,10,17H,7,9,16H2
InChIKeyQDKBSWBRFRSMSM-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.53
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

8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
5-[2-[(5-nitroquinolin-8-yl)amino]ethyl]-1,3,4-oxadiazol-2-amine
CID 86804798

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine (CID 43450134) is 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine is Nc1ccc(NCCc2cccs2)c2ncccc12.
What is the InChIKey of 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine?
The InChIKey is QDKBSWBRFRSMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-13-5-6-14(15-12(13)4-1-8-18-15)17-9-7-11-3-2-10-19-11/h1-6,8,10,17H,7,9,16H2.
What are the key properties of 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine?
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine has a molecular weight of 269.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).