6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one

C21H19FN6O2 — CID 142691521

IUPAC6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one
SMILESCN1CCN(C(=O)c2ccc3nc(-c4nc5cc(F)ccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C21H19FN6O2/c1-27-6-8-28(9-7-27)21(30)12-2-4-14-16(10-12)25-19(24-14)18-20(29)26-15-5-3-13(22)11-17(15)23-18/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H,26,29)
InChIKeyGUGJRVTZPVWJLM-UHFFFAOYSA-N
MW406.42 g/mol
LogP1.99
Rot. Bonds2

About 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one

6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one (PubChem CID 142691521) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one
PubChem CID142691521
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one
SMILESCN1CCN(C(=O)c2ccc3nc(-c4nc5cc(F)ccc5[nH]c4=O)[nH]c3c2)CC1
InChIInChI=1S/C21H19FN6O2/c1-27-6-8-28(9-7-27)21(30)12-2-4-14-16(10-12)25-19(24-14)18-20(29)26-15-5-3-13(22)11-17(15)23-18/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H,26,29)
InChIKeyGUGJRVTZPVWJLM-UHFFFAOYSA-N
XLogP1.99
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
1-fluoro-3-methoxysulfanylbenzene;(4-methylpiperazin-1-yl)-(2-naphthalen-1-yl-3H-benzimidazol-5-yl)methanone
CID 155599087
(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 110489748
3-[(E)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-oxoprop-1-enyl]-1H-quinoxalin-2-one
CID 11545851
3-[(E)-1,2-diamino-2-[3-(pyrrolidine-1-carbonyl)phenyl]ethenyl]-7-fluoro-1H-quinoxalin-2-one
CID 142897022
[2-(4-fluorophenyl)-3-[3-(hydroxymethyl)phenyl]quinoxalin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 169286573
[2-(4-methylpiperazine-1-carbonyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 10360375
7-(4-methylpiperazine-1-carbonyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 59587728
3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
CID 58585075
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3-[(E)-1,2-diamino-2-[3-(pyrrolidine-1-carbonyl)phenyl]ethenyl]-7-fluoro-1H-quinoxalin-2-one;N-methylmethanamine
CID 142897021

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one (CID 142691521) is 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one is CN1CCN(C(=O)c2ccc3nc(-c4nc5cc(F)ccc5[nH]c4=O)[nH]c3c2)CC1.
What is the InChIKey of 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one?
The InChIKey is GUGJRVTZPVWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-27-6-8-28(9-7-27)21(30)12-2-4-14-16(10-12)25-19(24-14)18-20(29)26-15-5-3-13(22)11-17(15)23-18/h2-5,10-11H,6-9H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one?
6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one has a molecular weight of 406.42 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 142691521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).