10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide

C32H31FN6O4 — CID 139189280

About 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide

10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide (PubChem CID 139189280) has the molecular formula C32H31FN6O4 and a molecular weight of 582.64 g/mol. Its IUPAC name is 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide.

Molecular Properties

• Compound Name: 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide
• PubChem CID: 139189280
• Molecular Formula: C32H31FN6O4
• Molecular Weight: 582.64 g/mol
• Exact Mass: 582.24
• IUPAC Name: 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide
• SMILES: CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12
• InChI: InChI=1S/C32H31FN6O4/c1-18(2)16-42-26-12-24(31(40)36-20-7-5-9-34-14-20)38-29-22(26)11-23-27(43-17-19(3)4)13-25(39-30(23)28(29)33)32(41)37-21-8-6-10-35-15-21/h5-15,18-19H,16-17H2,1-4H3,(H,36,40)(H,37,41)
• InChIKey: OQKAUYPPWBSGNO-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 128.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.64
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide?

The IUPAC name of 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide (CID 139189280) is 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide.

What is the SMILES notation for 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide?

The canonical SMILES for 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide is CC(C)COc1cc(C(=O)Nc2cccnc2)nc2c(F)c3nc(C(=O)Nc4cccnc4)cc(OCC(C)C)c3cc12.

What is the InChIKey of 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide?

The InChIKey is OQKAUYPPWBSGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O4/c1-18(2)16-42-26-12-24(31(40)36-20-7-5-9-34-14-20)38-29-22(26)11-23-27(43-17-19(3)4)13-25(39-30(23)28(29)33)32(41)37-21-8-6-10-35-15-21/h5-15,18-19H,16-17H2,1-4H3,(H,36,40)(H,37,41).

What are the key properties of 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide?

10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide has a molecular weight of 582.64 g/mol, XLogP of 6.29, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-fluoro-4,6-bis(2-methylpropoxy)-2-N,8-N-dipyridin-3-ylpyrido[3,2-g]quinoline-2,8-dicarboxamide is sourced from PubChem (CID 139189280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).