4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline

C29H18Cl3F4N3 — CID 158252434

About 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline

4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline (PubChem CID 158252434) has the molecular formula C29H18Cl3F4N3 and a molecular weight of 590.84 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline.

Molecular Properties

• Compound Name: 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
• PubChem CID: 158252434
• Molecular Formula: C29H18Cl3F4N3
• Molecular Weight: 590.84 g/mol
• Exact Mass: 589.05
• IUPAC Name: 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
• SMILES: Cc1c(-c2cccc3c2ccn3C)nc2cc(F)cc(F)c2c1Cl.Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl
• InChI: InChI=1S/C19H13ClF2N2.C10H5Cl2F2N/c1-10-18(20)17-14(22)8-11(21)9-15(17)23-19(10)13-4-3-5-16-12(13)6-7-24(16)2;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h3-9H,1-2H3;2-3H,1H3
• InChIKey: GGWNBNJUOWDKFA-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.84
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline (CID 158252434) is 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline.

What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline is Cc1c(-c2cccc3c2ccn3C)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-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

The InChIKey is GGWNBNJUOWDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2.C10H5Cl2F2N/c1-10-18(20)17-14(22)8-11(21)9-15(17)23-19(10)13-4-3-5-16-12(13)6-7-24(16)2;1-4-9(11)8-6(14)2-5(13)3-7(8)15-10(4)12/h3-9H,1-2H3;2-3H,1H3.

What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline?

4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline has a molecular weight of 590.84 g/mol, XLogP of 9.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline is sourced from PubChem (CID 158252434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).