N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

C23H24FN5O — CID 166188556

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (PubChem CID 166188556) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
• PubChem CID: 166188556
• Molecular Formula: C23H24FN5O
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.20
• IUPAC Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
• SMILES: Cn1ccnc1C(NC(=O)N1CC2CCCN2c2ccccc21)c1ccc(F)cc1
• InChI: InChI=1S/C23H24FN5O/c1-27-14-12-25-22(27)21(16-8-10-17(24)11-9-16)26-23(30)29-15-18-5-4-13-28(18)19-6-2-3-7-20(19)29/h2-3,6-12,14,18,21H,4-5,13,15H2,1H3,(H,26,30)
• InChIKey: OURBQXVAXVJMDM-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 53.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide (CID 166188556) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is Cn1ccnc1C(NC(=O)N1CC2CCCN2c2ccccc21)c1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?

The InChIKey is OURBQXVAXVJMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-27-14-12-25-22(27)21(16-8-10-17(24)11-9-16)26-23(30)29-15-18-5-4-13-28(18)19-6-2-3-7-20(19)29/h2-3,6-12,14,18,21H,4-5,13,15H2,1H3,(H,26,30).

What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide?

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 166188556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).