2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline

C113H70F9N15O2 — CID 162044234

About 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline

2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline (PubChem CID 162044234) has the molecular formula C113H70F9N15O2 and a molecular weight of 1840.89 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline
• PubChem CID: 162044234
• Molecular Formula: C113H70F9N15O2
• Molecular Weight: 1840.89 g/mol
• Exact Mass: 1839.57
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline
• SMILES: Cc1ccccc1-c1nc2ccccc2c(-n2ccc3cnccc32)c1F.Fc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-n1ccc2cnccc21.Fc1c(-c2ccccc2)nc2ccccc2c1-n1ccc2cnccc21.Fc1c(-c2ccccc2C(F)(F)F)nc2ccccc2c1-n1ccc2cnccc21.Fc1ccccc1-c1nc2ccccc2c(-n2ccc3cnccc32)c1F
• InChI: InChI=1S/C23H13F4N3.C23H14FN3O2.C23H16FN3.C22H13F2N3.C22H14FN3/c24-20-21(15-5-1-3-7-17(15)23(25,26)27)29-18-8-4-2-6-16(18)22(20)30-12-10-14-13-28-11-9-19(14)30;24-21-22(14-5-6-19-20(11-14)29-13-28-19)26-17-4-2-1-3-16(17)23(21)27-10-8-15-12-25-9-7-18(15)27;1-15-6-2-3-7-17(15)22-21(24)23(18-8-4-5-9-19(18)26-22)27-13-11-16-14-25-12-10-20(16)27;23-17-7-3-1-5-15(17)21-20(24)22(16-6-2-4-8-18(16)26-21)27-12-10-14-13-25-11-9-19(14)27;23-20-21(15-6-2-1-3-7-15)25-18-9-5-4-8-17(18)22(20)26-13-11-16-14-24-12-10-19(16)26/h1-13H;1-12H,13H2;2-14H,1H3;1-13H;1-14H
• InChIKey: YXRGZCNYRIBDAY-UHFFFAOYSA-N
• XLogP: 28.09
• TPSA: 172.01 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.89
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline (CID 162044234) is 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline is Cc1ccccc1-c1nc2ccccc2c(-n2ccc3cnccc32)c1F.Fc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-n1ccc2cnccc21.Fc1c(-c2ccccc2)nc2ccccc2c1-n1ccc2cnccc21.Fc1c(-c2ccccc2C(F)(F)F)nc2ccccc2c1-n1ccc2cnccc21.Fc1ccccc1-c1nc2ccccc2c(-n2ccc3cnccc32)c1F.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline?

The InChIKey is YXRGZCNYRIBDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F4N3.C23H14FN3O2.C23H16FN3.C22H13F2N3.C22H14FN3/c24-20-21(15-5-1-3-7-17(15)23(25,26)27)29-18-8-4-2-6-16(18)22(20)30-12-10-14-13-28-11-9-19(14)30;24-21-22(14-5-6-19-20(11-14)29-13-28-19)26-17-4-2-1-3-16(17)23(21)27-10-8-15-12-25-9-7-18(15)27;1-15-6-2-3-7-17(15)22-21(24)23(18-8-4-5-9-19(18)26-22)27-13-11-16-14-25-12-10-20(16)27;23-17-7-3-1-5-15(17)21-20(24)22(16-6-2-4-8-18(16)26-21)27-12-10-14-13-25-11-9-19(14)27;23-20-21(15-6-2-1-3-7-15)25-18-9-5-4-8-17(18)22(20)26-13-11-16-14-24-12-10-19(16)26/h1-13H;1-12H,13H2;2-14H,1H3;1-13H;1-14H.

What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline?

2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline has a molecular weight of 1840.89 g/mol, XLogP of 28.09, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-3-fluoro-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-(2-methylphenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-2-phenyl-4-pyrrolo[3,2-c]pyridin-1-ylquinoline;3-fluoro-4-pyrrolo[3,2-c]pyridin-1-yl-2-[2-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 162044234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).