N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide

C27H26FN3O2 — CID 155513565

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide (PubChem CID 155513565) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide
• PubChem CID: 155513565
• Molecular Formula: C27H26FN3O2
• Molecular Weight: 443.52 g/mol
• Exact Mass: 443.20
• IUPAC Name: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide
• SMILES: O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(OCc4ccc(F)cc4)ccc3n2c1
• InChI: InChI=1S/C27H26FN3O2/c28-22-4-1-18(2-5-22)17-33-24-7-8-26-20(14-24)3-6-23-13-21(15-31(23)26)27(32)29-25-16-30-11-9-19(25)10-12-30/h1-8,13-15,19,25H,9-12,16-17H2,(H,29,32)/t25-/m0/s1
• InChIKey: GIPODIVZRDKWMQ-VWLOTQADSA-N
• XLogP: 4.63
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.52
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide?

The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide (CID 155513565) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide.

What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide?

The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3cc(OCc4ccc(F)cc4)ccc3n2c1.

What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide?

The InChIKey is GIPODIVZRDKWMQ-VWLOTQADSA-N. The full InChI is InChI=1S/C27H26FN3O2/c28-22-4-1-18(2-5-22)17-33-24-7-8-26-20(14-24)3-6-23-13-21(15-31(23)26)27(32)29-25-16-30-11-9-19(25)10-12-30/h1-8,13-15,19,25H,9-12,16-17H2,(H,29,32)/t25-/m0/s1.

What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide?

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-[(4-fluorophenyl)methoxy]pyrrolo[1,2-a]quinoline-2-carboxamide is sourced from PubChem (CID 155513565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).