2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine

C19H19N3O2 — CID 68913590

IUPAC2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine
SMILESCCOc1cccc2c1C(Nc1ccc3cc(N)ccc3n1)CO2
InChIInChI=1S/C19H19N3O2/c1-2-23-16-4-3-5-17-19(16)15(11-24-17)22-18-9-6-12-10-13(20)7-8-14(12)21-18/h3-10,15H,2,11,20H2,1H3,(H,21,22)
InChIKeyBWNQDQMAMSSRDI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.76
Rot. Bonds4

About 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine

2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine (PubChem CID 68913590) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine
PubChem CID68913590
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine
SMILESCCOc1cccc2c1C(Nc1ccc3cc(N)ccc3n1)CO2
InChIInChI=1S/C19H19N3O2/c1-2-23-16-4-3-5-17-19(16)15(11-24-17)22-18-9-6-12-10-13(20)7-8-14(12)21-18/h3-10,15H,2,11,20H2,1H3,(H,21,22)
InChIKeyBWNQDQMAMSSRDI-UHFFFAOYSA-N
XLogP3.76
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine (CID 68913590) is 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine is CCOc1cccc2c1C(Nc1ccc3cc(N)ccc3n1)CO2.
What is the InChIKey of 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine?
The InChIKey is BWNQDQMAMSSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-23-16-4-3-5-17-19(16)15(11-24-17)22-18-9-6-12-10-13(20)7-8-14(12)21-18/h3-10,15H,2,11,20H2,1H3,(H,21,22).
What are the key properties of 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine?
2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine has a molecular weight of 321.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxy-2,3-dihydro-1-benzofuran-3-yl)quinoline-2,6-diamine is sourced from PubChem (CID 68913590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).