4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile

C24H17Cl2N5O2 — CID 5330498

About 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile

4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile (PubChem CID 5330498) has the molecular formula C24H17Cl2N5O2 and a molecular weight of 478.34 g/mol. Its IUPAC name is 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile
• PubChem CID: 5330498
• Molecular Formula: C24H17Cl2N5O2
• Molecular Weight: 478.34 g/mol
• Exact Mass: 477.08
• IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile
• SMILES: COc1cc(Nc2c(C#N)cnc3cc(/C=C/c4cnccn4)c(OC)cc23)c(Cl)cc1Cl
• InChI: InChI=1S/C24H17Cl2N5O2/c1-32-22-8-17-20(7-14(22)3-4-16-13-28-5-6-29-16)30-12-15(11-27)24(17)31-21-10-23(33-2)19(26)9-18(21)25/h3-10,12-13H,1-2H3,(H,30,31)/b4-3+
• InChIKey: NVXNPEHKFCIXKE-ONEGZZNKSA-N
• XLogP: 6.13
• TPSA: 92.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.34
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile?

The IUPAC name of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile (CID 5330498) is 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile.

What is the SMILES notation for 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile?

The canonical SMILES for 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile is COc1cc(Nc2c(C#N)cnc3cc(/C=C/c4cnccn4)c(OC)cc23)c(Cl)cc1Cl.

What is the InChIKey of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile?

The InChIKey is NVXNPEHKFCIXKE-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H17Cl2N5O2/c1-32-22-8-17-20(7-14(22)3-4-16-13-28-5-6-29-16)30-12-15(11-27)24(17)31-21-10-23(33-2)19(26)9-18(21)25/h3-10,12-13H,1-2H3,(H,30,31)/b4-3+.

What are the key properties of 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile?

4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile has a molecular weight of 478.34 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(E)-2-pyrazin-2-ylethenyl]quinoline-3-carbonitrile is sourced from PubChem (CID 5330498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).