2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one

C22H19FN4O2 — CID 137183652

IUPAC2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one
SMILESCN1CCN(c2cc3nc(C4=C(O)c5ccccc5C4=O)cnc3cc2F)CC1
InChIInChI=1S/C22H19FN4O2/c1-26-6-8-27(9-7-26)19-11-17-16(10-15(19)23)24-12-18(25-17)20-21(28)13-4-2-3-5-14(13)22(20)29/h2-5,10-12,28H,6-9H2,1H3
InChIKeyVQMSVNZFKHPXQP-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.14
Rot. Bonds2

About 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one

2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one (PubChem CID 137183652) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one
PubChem CID137183652
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one
SMILESCN1CCN(c2cc3nc(C4=C(O)c5ccccc5C4=O)cnc3cc2F)CC1
InChIInChI=1S/C22H19FN4O2/c1-26-6-8-27(9-7-26)19-11-17-16(10-15(19)23)24-12-18(25-17)20-21(28)13-4-2-3-5-14(13)22(20)29/h2-5,10-12,28H,6-9H2,1H3
InChIKeyVQMSVNZFKHPXQP-UHFFFAOYSA-N
XLogP3.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350
6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline
CID 10764062
2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
CID 59447679
3-(1H-benzimidazol-2-yl)-6-fluoro-7-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 142670740
N-[2-amino-4-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-4-carboxamide
CID 141329713
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
7-chloro-6-[[2,3,6-trifluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]quinoline-5,8-dione
CID 165046397
2-[4-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)piperazin-1-yl]phenol
CID 132508354
3-hydroxy-2-pyrimidin-4-ylinden-1-one
CID 135507037
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
2-(3,4-difluoroanilino)-3-(4-methylpiperazin-1-yl)naphthalene-1,4-dione
CID 46500627

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one (CID 137183652) is 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one is CN1CCN(c2cc3nc(C4=C(O)c5ccccc5C4=O)cnc3cc2F)CC1.
What is the InChIKey of 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one?
The InChIKey is VQMSVNZFKHPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-26-6-8-27(9-7-26)19-11-17-16(10-15(19)23)24-12-18(25-17)20-21(28)13-4-2-3-5-14(13)22(20)29/h2-5,10-12,28H,6-9H2,1H3.
What are the key properties of 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one?
2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one has a molecular weight of 390.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one is sourced from PubChem (CID 137183652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).