8-N-(2-ethoxyethyl)quinoline-5,8-diamine

C13H17N3O — CID 43591091

IUPAC8-N-(2-ethoxyethyl)quinoline-5,8-diamine
SMILESCCOCCNc1ccc(N)c2cccnc12
InChIInChI=1S/C13H17N3O/c1-2-17-9-8-15-12-6-5-11(14)10-4-3-7-16-13(10)12/h3-7,15H,2,8-9,14H2,1H3
InChIKeyPAZUTJIBKOHXSQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.27
Rot. Bonds5

About 8-N-(2-ethoxyethyl)quinoline-5,8-diamine

8-N-(2-ethoxyethyl)quinoline-5,8-diamine (PubChem CID 43591091) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-N-(2-ethoxyethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-ethoxyethyl)quinoline-5,8-diamine
PubChem CID43591091
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name8-N-(2-ethoxyethyl)quinoline-5,8-diamine
SMILESCCOCCNc1ccc(N)c2cccnc12
InChIInChI=1S/C13H17N3O/c1-2-17-9-8-15-12-6-5-11(14)10-4-3-7-16-13(10)12/h3-7,15H,2,8-9,14H2,1H3
InChIKeyPAZUTJIBKOHXSQ-UHFFFAOYSA-N
XLogP2.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.27
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'}

Analyze 8-N-(2-ethoxyethyl)quinoline-5,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
5-N-(2-ethoxyethyl)-3-methylisoquinoline-5,8-diamine
CID 102713105
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134
7-N-(2-ethoxyethyl)-1,3-benzothiazole-4,7-diamine
CID 69468691
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-ethoxyethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-ethoxyethyl)quinoline-5,8-diamine (CID 43591091) is 8-N-(2-ethoxyethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-ethoxyethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-ethoxyethyl)quinoline-5,8-diamine is CCOCCNc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(2-ethoxyethyl)quinoline-5,8-diamine?
The InChIKey is PAZUTJIBKOHXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-17-9-8-15-12-6-5-11(14)10-4-3-7-16-13(10)12/h3-7,15H,2,8-9,14H2,1H3.
What are the key properties of 8-N-(2-ethoxyethyl)quinoline-5,8-diamine?
8-N-(2-ethoxyethyl)quinoline-5,8-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-ethoxyethyl)quinoline-5,8-diamine is sourced from PubChem (CID 43591091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).