4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile

C27H24Cl2N4O4 — CID 11541124

About 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile

4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile (PubChem CID 11541124) has the molecular formula C27H24Cl2N4O4 and a molecular weight of 539.42 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile
• PubChem CID: 11541124
• Molecular Formula: C27H24Cl2N4O4
• Molecular Weight: 539.42 g/mol
• Exact Mass: 538.12
• IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile
• SMILES: COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)c(Cl)cc1Cl
• InChI: InChI=1S/C27H24Cl2N4O4/c1-34-25-9-20-23(8-19(25)16-7-18(37-15-16)14-33-3-5-36-6-4-33)31-13-17(12-30)27(20)32-24-11-26(35-2)22(29)10-21(24)28/h7-11,13,15H,3-6,14H2,1-2H3,(H,31,32)
• InChIKey: UOCJWOPVMGCOOS-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.42
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile?

The IUPAC name of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile (CID 11541124) is 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile.

What is the SMILES notation for 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile?

The canonical SMILES for 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)c(Cl)cc1Cl.

What is the InChIKey of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile?

The InChIKey is UOCJWOPVMGCOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4O4/c1-34-25-9-20-23(8-19(25)16-7-18(37-15-16)14-33-3-5-36-6-4-33)31-13-17(12-30)27(20)32-24-11-26(35-2)22(29)10-21(24)28/h7-11,13,15H,3-6,14H2,1-2H3,(H,31,32).

What are the key properties of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile?

4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile has a molecular weight of 539.42 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[5-(morpholin-4-ylmethyl)furan-3-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 11541124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).