2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide

C27H23FN6O2 — CID 118463814

IUPAC2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C27H23FN6O2/c1-36-24-6-2-4-21(32-24)26-25(17-7-10-19(28)11-8-17)33-20-12-9-18(16-22(20)34-26)27(35)31-13-3-5-23-29-14-15-30-23/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,29,30)(H,31,35)
InChIKeyLIZIWSLKUKDKNC-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.59
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide (PubChem CID 118463814) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide
PubChem CID118463814
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide
SMILESCOc1cccc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C27H23FN6O2/c1-36-24-6-2-4-21(32-24)26-25(17-7-10-19(28)11-8-17)33-20-12-9-18(16-22(20)34-26)27(35)31-13-3-5-23-29-14-15-30-23/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,29,30)(H,31,35)
InChIKeyLIZIWSLKUKDKNC-UHFFFAOYSA-N
XLogP4.59
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide (CID 118463814) is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide is COc1cccc(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide?
The InChIKey is LIZIWSLKUKDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-36-24-6-2-4-21(32-24)26-25(17-7-10-19(28)11-8-17)33-20-12-9-18(16-22(20)34-26)27(35)31-13-3-5-23-29-14-15-30-23/h2,4,6-12,14-16H,3,5,13H2,1H3,(H,29,30)(H,31,35).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide?
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(6-methoxy-2-pyridinyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).