1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine

C16H16N2O — CID 55097970

IUPAC1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc3ncccc23)o1
InChIInChI=1S/C16H16N2O/c1-2-13(17)16-9-8-15(19-16)12-5-3-7-14-11(12)6-4-10-18-14/h3-10,13H,2,17H2,1H3
InChIKeyVEVKHNZVCOUDHK-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.90
Rot. Bonds3

About 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine

1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine (PubChem CID 55097970) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine
PubChem CID55097970
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine
SMILESCCC(N)c1ccc(-c2cccc3ncccc23)o1
InChIInChI=1S/C16H16N2O/c1-2-13(17)16-9-8-15(19-16)12-5-3-7-14-11(12)6-4-10-18-14/h3-10,13H,2,17H2,1H3
InChIKeyVEVKHNZVCOUDHK-UHFFFAOYSA-N
XLogP3.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine?
The IUPAC name of 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine (CID 55097970) is 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine is CCC(N)c1ccc(-c2cccc3ncccc23)o1.
What is the InChIKey of 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine?
The InChIKey is VEVKHNZVCOUDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-13(17)16-9-8-15(19-16)12-5-3-7-14-11(12)6-4-10-18-14/h3-10,13H,2,17H2,1H3.
What are the key properties of 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine?
1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-quinolin-5-ylfuran-2-yl)propan-1-amine is sourced from PubChem (CID 55097970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).