[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C26H20ClN3O4 — CID 4216263

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4216263) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 4216263
• Molecular Formula: C26H20ClN3O4
• Molecular Weight: 473.92 g/mol
• Exact Mass: 473.11
• IUPAC Name: [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2)Nc1ccc(Cl)cn1
• InChI: InChI=1S/C26H20ClN3O4/c27-17-10-11-22(28-14-17)30-23(31)15-34-26(32)24-19-7-1-2-9-21(19)29-25-16(5-3-8-20(24)25)13-18-6-4-12-33-18/h1-2,4,6-7,9-14H,3,5,8,15H2,(H,28,30,31)
• InChIKey: SRBJDYJRCNADIX-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 94.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.92
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 4216263) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccco1)CCC2)Nc1ccc(Cl)cn1.

What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is SRBJDYJRCNADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c27-17-10-11-22(28-14-17)30-23(31)15-34-26(32)24-19-7-1-2-9-21(19)29-25-16(5-3-8-20(24)25)13-18-6-4-12-33-18/h1-2,4,6-7,9-14H,3,5,8,15H2,(H,28,30,31).

What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 473.92 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4216263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).