6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one

C22H21FN6O2 — CID 146479547

IUPAC6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2cc(F)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C22H21FN6O2/c1-28-20-10-15(14-12-24-25-13-14)16(23)11-18(20)27-21(22(28)30)26-17-4-2-3-5-19(17)29-6-8-31-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyGYTNLFTUCKUBCB-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.04
Rot. Bonds4

About 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one

6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one (PubChem CID 146479547) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
PubChem CID146479547
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2cc(F)c(-c3cn[nH]c3)cc21
InChIInChI=1S/C22H21FN6O2/c1-28-20-10-15(14-12-24-25-13-14)16(23)11-18(20)27-21(22(28)30)26-17-4-2-3-5-19(17)29-6-8-31-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyGYTNLFTUCKUBCB-UHFFFAOYSA-N
XLogP3.04
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479484
7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479528
8-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 142494302
7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479542
1-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 142494283
7-(1-benzylpyrazol-4-yl)-6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)quinoxalin-2-one
CID 142494282
1-methyl-N-(2-morpholin-4-ylphenyl)-4,5-dihydroimidazol-2-amine
CID 15746363
4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 2741200
3-(2-morpholin-4-ylanilino)quinoxaline-2-carboxamide
CID 11175504
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
5-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;8-chloro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-[3-(4-methylsulfonylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperazin-1-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one;1-methyl-3-(4-piperidin-1-ylsulfonylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 160734569
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
The IUPAC name of 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one (CID 146479547) is 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one.
What is the SMILES notation for 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
The canonical SMILES for 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one is Cn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2cc(F)c(-c3cn[nH]c3)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
The InChIKey is GYTNLFTUCKUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-28-20-10-15(14-12-24-25-13-14)16(23)11-18(20)27-21(22(28)30)26-17-4-2-3-5-19(17)29-6-8-31-9-7-29/h2-5,10-13H,6-9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one?
6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one has a molecular weight of 420.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one is sourced from PubChem (CID 146479547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).