8-N-(3-phenylpropyl)quinoline-5,8-diamine

C18H19N3 — CID 60904771

IUPAC8-N-(3-phenylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCc2ccccc2)c2ncccc12
InChIInChI=1S/C18H19N3/c19-16-10-11-17(18-15(16)9-5-13-21-18)20-12-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-11,13,20H,4,8,12,19H2
InChIKeyUFQDEXIHKXCCQJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.86
Rot. Bonds5

About 8-N-(3-phenylpropyl)quinoline-5,8-diamine

8-N-(3-phenylpropyl)quinoline-5,8-diamine (PubChem CID 60904771) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-N-(3-phenylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3-phenylpropyl)quinoline-5,8-diamine
PubChem CID60904771
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name8-N-(3-phenylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCc2ccccc2)c2ncccc12
InChIInChI=1S/C18H19N3/c19-16-10-11-17(18-15(16)9-5-13-21-18)20-12-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-11,13,20H,4,8,12,19H2
InChIKeyUFQDEXIHKXCCQJ-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
8-N-(3-phenylpropyl)isoquinoline-5,8-diamine
CID 103137417
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
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
8-N-[(3-fluorophenyl)methyl]quinoline-5,8-diamine
CID 43450144
8-N-(thiophen-3-ylmethyl)quinoline-5,8-diamine
CID 55173328
8-[[benzyl(methyl)amino]methyl]quinolin-5-amine
CID 43375712

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-phenylpropyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(3-phenylpropyl)quinoline-5,8-diamine (CID 60904771) is 8-N-(3-phenylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3-phenylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(3-phenylpropyl)quinoline-5,8-diamine is Nc1ccc(NCCCc2ccccc2)c2ncccc12.
What is the InChIKey of 8-N-(3-phenylpropyl)quinoline-5,8-diamine?
The InChIKey is UFQDEXIHKXCCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-16-10-11-17(18-15(16)9-5-13-21-18)20-12-4-8-14-6-2-1-3-7-14/h1-3,5-7,9-11,13,20H,4,8,12,19H2.
What are the key properties of 8-N-(3-phenylpropyl)quinoline-5,8-diamine?
8-N-(3-phenylpropyl)quinoline-5,8-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-phenylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 60904771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).