3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one

C22H21FN6O2 — CID 58585075

IUPAC3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
SMILESCN1CCN(C(=O)c2cc3c(N)c(-c4nc5ccccc5[nH]c4=O)[nH]c3cc2F)CC1
InChIInChI=1S/C22H21FN6O2/c1-28-6-8-29(9-7-28)22(31)12-10-13-17(11-14(12)23)26-19(18(13)24)20-21(30)27-16-5-3-2-4-15(16)25-20/h2-5,10-11,26H,6-9,24H2,1H3,(H,27,30)
InChIKeyZAMAABKUOFSGOT-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.18
Rot. Bonds2

About 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one

3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one (PubChem CID 58585075) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
PubChem CID58585075
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
SMILESCN1CCN(C(=O)c2cc3c(N)c(-c4nc5ccccc5[nH]c4=O)[nH]c3cc2F)CC1
InChIInChI=1S/C22H21FN6O2/c1-28-6-8-29(9-7-28)22(31)12-10-13-17(11-14(12)23)26-19(18(13)24)20-21(30)27-16-5-3-2-4-15(16)25-20/h2-5,10-11,26H,6-9,24H2,1H3,(H,27,30)
InChIKeyZAMAABKUOFSGOT-UHFFFAOYSA-N
XLogP2.18
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[3-amino-6-chloro-5-(pyrrolidine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one
CID 58584725
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
6-fluoro-3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-quinoxalin-2-one
CID 142691521
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
3-[(E)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-oxoprop-1-enyl]-1H-quinoxalin-2-one
CID 11545851
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949207
[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone
CID 154700389
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1-methyl-2-(4-methylpiperazine-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
CID 90644176
4-amino-3-fluoro-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 145069415
2-[[4-(4-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135963194
(3,4-difluorophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013289

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one (CID 58585075) is 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one is CN1CCN(C(=O)c2cc3c(N)c(-c4nc5ccccc5[nH]c4=O)[nH]c3cc2F)CC1.
What is the InChIKey of 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
The InChIKey is ZAMAABKUOFSGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-28-6-8-29(9-7-28)22(31)12-10-13-17(11-14(12)23)26-19(18(13)24)20-21(30)27-16-5-3-2-4-15(16)25-20/h2-5,10-11,26H,6-9,24H2,1H3,(H,27,30).
What are the key properties of 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one?
3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one has a molecular weight of 420.45 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-6-fluoro-5-(4-methylpiperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 58585075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).