(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone

C16H13NO2 — CID 113230028

IUPAC(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
SMILESCc1cc(C(=O)c2cccc3cccnc23)c(C)o1
InChIInChI=1S/C16H13NO2/c1-10-9-14(11(2)19-10)16(18)13-7-3-5-12-6-4-8-17-15(12)13/h3-9H,1-2H3
InChIKeyFTPCAWQDAQDUOS-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.68
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone

(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone (PubChem CID 113230028) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
PubChem CID113230028
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
SMILESCc1cc(C(=O)c2cccc3cccnc23)c(C)o1
InChIInChI=1S/C16H13NO2/c1-10-9-14(11(2)19-10)16(18)13-7-3-5-12-6-4-8-17-15(12)13/h3-9H,1-2H3
InChIKeyFTPCAWQDAQDUOS-UHFFFAOYSA-N
XLogP3.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone (CID 113230028) is (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone is Cc1cc(C(=O)c2cccc3cccnc23)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone?
The InChIKey is FTPCAWQDAQDUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-9-14(11(2)19-10)16(18)13-7-3-5-12-6-4-8-17-15(12)13/h3-9H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone?
(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone has a molecular weight of 251.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 113230028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).