4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline

C24H13Cl3F4N4 — CID 158795035

About 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline

4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline (PubChem CID 158795035) has the molecular formula C24H13Cl3F4N4 and a molecular weight of 539.75 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline.

Molecular Properties

• Compound Name: 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
• PubChem CID: 158795035
• Molecular Formula: C24H13Cl3F4N4
• Molecular Weight: 539.75 g/mol
• Exact Mass: 538.01
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
• SMILES: Cc1c(-c2cnccn2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl
• InChI: InChI=1S/C14H8ClF2N3.C10H5Cl2F2N/c1-7-13(15)12-9(17)4-8(16)5-10(12)20-14(7)11-6-18-2-3-19-11;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h2-6H,1H3;2-3H,1H3
• InChIKey: ISTKJJCPDONRFY-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.75
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline (CID 158795035) is 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline.

What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline is Cc1c(-c2cnccn2)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl.

What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

The InChIKey is ISTKJJCPDONRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3.C10H5Cl2F2N/c1-7-13(15)12-9(17)4-8(16)5-10(12)20-14(7)11-6-18-2-3-19-11;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h2-6H,1H3;2-3H,1H3.

What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline has a molecular weight of 539.75 g/mol, XLogP of 8.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline is sourced from PubChem (CID 158795035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).