2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid

C26H20N2O5 — CID 166146519

About 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid

2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid (PubChem CID 166146519) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid.

Molecular Properties

• Compound Name: 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid
• PubChem CID: 166146519
• Molecular Formula: C26H20N2O5
• Molecular Weight: 440.46 g/mol
• Exact Mass: 440.14
• IUPAC Name: 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid
• SMILES: Cc1cc(C(C)Nc2ccccc2C(=O)O)c2oc(-c3cc4ccncc4o3)cc(=O)c2c1
• InChI: InChI=1S/C26H20N2O5/c1-14-9-18(15(2)28-20-6-4-3-5-17(20)26(30)31)25-19(10-14)21(29)12-23(33-25)22-11-16-7-8-27-13-24(16)32-22/h3-13,15,28H,1-2H3,(H,30,31)
• InChIKey: TUTDRTJPTJRKMF-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 105.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.46
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid?

The IUPAC name of 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid (CID 166146519) is 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid.

What is the SMILES notation for 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid?

The canonical SMILES for 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid is Cc1cc(C(C)Nc2ccccc2C(=O)O)c2oc(-c3cc4ccncc4o3)cc(=O)c2c1.

What is the InChIKey of 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid?

The InChIKey is TUTDRTJPTJRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c1-14-9-18(15(2)28-20-6-4-3-5-17(20)26(30)31)25-19(10-14)21(29)12-23(33-25)22-11-16-7-8-27-13-24(16)32-22/h3-13,15,28H,1-2H3,(H,30,31).

What are the key properties of 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid?

2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid has a molecular weight of 440.46 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-furo[2,3-c]pyridin-2-yl-6-methyl-4-oxochromen-8-yl)ethylamino]benzoic acid is sourced from PubChem (CID 166146519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).