2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide

C40H26N4O5 — CID 3663828

About 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide

2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide (PubChem CID 3663828) has the molecular formula C40H26N4O5 and a molecular weight of 642.67 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
• PubChem CID: 3663828
• Molecular Formula: C40H26N4O5
• Molecular Weight: 642.67 g/mol
• Exact Mass: 642.19
• IUPAC Name: 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2)cc1)c1cc(-c2ccco2)nc2ccccc12
• InChI: InChI=1S/C40H26N4O5/c45-39(31-23-35(37-11-5-21-47-37)43-33-9-3-1-7-29(31)33)41-25-13-17-27(18-14-25)49-28-19-15-26(16-20-28)42-40(46)32-24-36(38-12-6-22-48-38)44-34-10-4-2-8-30(32)34/h1-24H,(H,41,45)(H,42,46)
• InChIKey: XMRATBUVQJEGSH-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.67
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide?

The IUPAC name of 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide (CID 3663828) is 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide?

The canonical SMILES for 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2)cc1)c1cc(-c2ccco2)nc2ccccc12.

What is the InChIKey of 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide?

The InChIKey is XMRATBUVQJEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O5/c45-39(31-23-35(37-11-5-21-47-37)43-33-9-3-1-7-29(31)33)41-25-13-17-27(18-14-25)49-28-19-15-26(16-20-28)42-40(46)32-24-36(38-12-6-22-48-38)44-34-10-4-2-8-30(32)34/h1-24H,(H,41,45)(H,42,46).

What are the key properties of 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide?

2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide has a molecular weight of 642.67 g/mol, XLogP of 9.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3663828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).