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

C17H15N3O — CID 103963345

IUPAC4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NC1COc2ccccc21
InChIInChI=1S/C17H15N3O/c18-13-9-19-14-7-3-1-6-12(14)17(13)20-15-10-21-16-8-4-2-5-11(15)16/h1-9,15H,10,18H2,(H,19,20)
InChIKeyKKNQJIQWNLXMOD-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.36
Rot. Bonds2

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

4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine (PubChem CID 103963345) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
PubChem CID103963345
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NC1COc2ccccc21
InChIInChI=1S/C17H15N3O/c18-13-9-19-14-7-3-1-6-12(14)17(13)20-15-10-21-16-8-4-2-5-11(15)16/h1-9,15H,10,18H2,(H,19,20)
InChIKeyKKNQJIQWNLXMOD-UHFFFAOYSA-N
XLogP3.36
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine (CID 103963345) is 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NC1COc2ccccc21.
What is the InChIKey of 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine?
The InChIKey is KKNQJIQWNLXMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-13-9-19-14-7-3-1-6-12(14)17(13)20-15-10-21-16-8-4-2-5-11(15)16/h1-9,15H,10,18H2,(H,19,20).
What are the key properties of 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine?
4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1-benzofuran-3-yl)quinoline-3,4-diamine is sourced from PubChem (CID 103963345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).