2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide

C30H25FN6O — CID 118463777

IUPAC2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide
SMILESCn1ccc2cc(-c3nc4cc(C(=O)NCCCc5ncc[nH]5)ccc4nc3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C30H25FN6O/c1-37-16-12-20-17-21(7-11-26(20)37)29-28(19-4-8-23(31)9-5-19)35-24-10-6-22(18-25(24)36-29)30(38)34-13-2-3-27-32-14-15-33-27/h4-12,14-18H,2-3,13H2,1H3,(H,32,33)(H,34,38)
InChIKeyVOKWFMVQSDZMFR-UHFFFAOYSA-N
MW504.57 g/mol
LogP5.68
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide (PubChem CID 118463777) has the molecular formula C30H25FN6O and a molecular weight of 504.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide
PubChem CID118463777
Molecular FormulaC30H25FN6O
Molecular Weight504.57 g/mol
Exact Mass504.21
IUPAC Name2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide
SMILESCn1ccc2cc(-c3nc4cc(C(=O)NCCCc5ncc[nH]5)ccc4nc3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C30H25FN6O/c1-37-16-12-20-17-21(7-11-26(20)37)29-28(19-4-8-23(31)9-5-19)35-24-10-6-22(18-25(24)36-29)30(38)34-13-2-3-27-32-14-15-33-27/h4-12,14-18H,2-3,13H2,1H3,(H,32,33)(H,34,38)
InChIKeyVOKWFMVQSDZMFR-UHFFFAOYSA-N
XLogP5.68
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methylindol-5-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide (CID 118463777) is 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide is Cn1ccc2cc(-c3nc4cc(C(=O)NCCCc5ncc[nH]5)ccc4nc3-c3ccc(F)cc3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide?
The InChIKey is VOKWFMVQSDZMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O/c1-37-16-12-20-17-21(7-11-26(20)37)29-28(19-4-8-23(31)9-5-19)35-24-10-6-22(18-25(24)36-29)30(38)34-13-2-3-27-32-14-15-33-27/h4-12,14-18H,2-3,13H2,1H3,(H,32,33)(H,34,38).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide?
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide has a molecular weight of 504.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(1-methylindol-5-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118463777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).