7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

C22H23N7O2 — CID 146479484

IUPAC7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3cnc(N)[nH]3)cc21
InChIInChI=1S/C22H23N7O2/c1-28-19-12-14(17-13-24-22(23)27-17)6-7-16(19)26-20(21(28)30)25-15-4-2-3-5-18(15)29-8-10-31-11-9-29/h2-7,12-13H,8-11H2,1H3,(H,25,26)(H3,23,24,27)
InChIKeyLVSDHRFXLCAESZ-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.49
Rot. Bonds4

About 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (PubChem CID 146479484) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.

Molecular Properties

Compound Name7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
PubChem CID146479484
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3cnc(N)[nH]3)cc21
InChIInChI=1S/C22H23N7O2/c1-28-19-12-14(17-13-24-22(23)27-17)6-7-16(19)26-20(21(28)30)25-15-4-2-3-5-18(15)29-8-10-31-11-9-29/h2-7,12-13H,8-11H2,1H3,(H,25,26)(H3,23,24,27)
InChIKeyLVSDHRFXLCAESZ-UHFFFAOYSA-N
XLogP2.49
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479528
7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479542
6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 146479547
3-(2-morpholin-4-ylanilino)quinoxaline-2-carboxamide
CID 11175504
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
1-methyl-N-(2-morpholin-4-ylphenyl)-4,5-dihydroimidazol-2-amine
CID 15746363
7-(1-benzylpyrazol-4-yl)-6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)quinoxalin-2-one
CID 142494282
1-methyl-3-[4-(4-methylpiperazin-1-yl)anilino]-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 142494283
N-[4-[[5-bromo-4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 10029643
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
8-fluoro-1-methyl-3-(4-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 142494302
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The IUPAC name of 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (CID 146479484) is 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.
What is the SMILES notation for 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The canonical SMILES for 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is Cn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3cnc(N)[nH]3)cc21.
What is the InChIKey of 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The InChIKey is LVSDHRFXLCAESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28-19-12-14(17-13-24-22(23)27-17)6-7-16(19)26-20(21(28)30)25-15-4-2-3-5-18(15)29-8-10-31-11-9-29/h2-7,12-13H,8-11H2,1H3,(H,25,26)(H3,23,24,27).
What are the key properties of 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one has a molecular weight of 417.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is sourced from PubChem (CID 146479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).