8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine

C15H15N3O — CID 61469423

IUPAC8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ccco2)c2ncccc12
InChIInChI=1S/C15H15N3O/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
InChIKeyAYVHNXRZLUUMEV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.06
Rot. Bonds4

About 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine

8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine (PubChem CID 61469423) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
PubChem CID61469423
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
SMILESNc1ccc(NCCc2ccco2)c2ncccc12
InChIInChI=1S/C15H15N3O/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
InChIKeyAYVHNXRZLUUMEV-UHFFFAOYSA-N
XLogP3.06
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.06
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-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine
CID 60661662
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
CID 104826392
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoline-5,8-diamine
CID 106393652
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
4-bromo-1-N-[2-(furan-2-yl)ethyl]benzene-1,2-diamine
CID 61469654

Frequently Asked Questions

What is the IUPAC name of 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine?
The IUPAC name of 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine (CID 61469423) is 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine.
What is the SMILES notation for 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine?
The canonical SMILES for 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine is Nc1ccc(NCCc2ccco2)c2ncccc12.
What is the InChIKey of 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine?
The InChIKey is AYVHNXRZLUUMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/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-(furan-2-yl)ethyl]quinoline-5,8-diamine?
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine has a molecular weight of 253.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine is sourced from PubChem (CID 61469423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).