8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine

C15H17N5 — CID 43450147

IUPAC8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCn2ccnc2)c2ncccc12
InChIInChI=1S/C15H17N5/c16-13-4-5-14(15-12(13)3-1-6-19-15)18-7-2-9-20-10-8-17-11-20/h1,3-6,8,10-11,18H,2,7,9,16H2
InChIKeyFLFZEAAKZVPLOB-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.52
Rot. Bonds5

About 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine

8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine (PubChem CID 43450147) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
PubChem CID43450147
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
SMILESNc1ccc(NCCCn2ccnc2)c2ncccc12
InChIInChI=1S/C15H17N5/c16-13-4-5-14(15-12(13)3-1-6-19-15)18-7-2-9-20-10-8-17-11-20/h1,3-6,8,10-11,18H,2,7,9,16H2
InChIKeyFLFZEAAKZVPLOB-UHFFFAOYSA-N
XLogP2.52
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)quinoline-5,8-diamine
CID 60904771
N-(3-imidazol-1-ylpropyl)-2-nitropyridin-3-amine
CID 112685068
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
4-amino-3-(3-imidazol-1-ylpropylamino)benzoic acid
CID 82784816
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154198
N-[(5-chloroquinolin-8-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 115697270

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine (CID 43450147) is 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine is Nc1ccc(NCCCn2ccnc2)c2ncccc12.
What is the InChIKey of 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine?
The InChIKey is FLFZEAAKZVPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-13-4-5-14(15-12(13)3-1-6-19-15)18-7-2-9-20-10-8-17-11-20/h1,3-6,8,10-11,18H,2,7,9,16H2.
What are the key properties of 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine?
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).