7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

C25H23N7O2 — CID 146479528

IUPAC7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3cnc4ncccn34)cc21
InChIInChI=1S/C25H23N7O2/c1-30-21-15-17(22-16-27-25-26-9-4-10-32(22)25)7-8-19(21)29-23(24(30)33)28-18-5-2-3-6-20(18)31-11-13-34-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,28,29)
InChIKeyBDWVYFCFVWVJLM-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.22
Rot. Bonds4

About 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (PubChem CID 146479528) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.

Molecular Properties

Compound Name7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
PubChem CID146479528
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3cnc4ncccn34)cc21
InChIInChI=1S/C25H23N7O2/c1-30-21-15-17(22-16-27-25-26-9-4-10-32(22)25)7-8-19(21)29-23(24(30)33)28-18-5-2-3-6-20(18)31-11-13-34-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,28,29)
InChIKeyBDWVYFCFVWVJLM-UHFFFAOYSA-N
XLogP3.22
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(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
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201

Frequently Asked Questions

What is the IUPAC name of 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The IUPAC name of 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (CID 146479528) is 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.
What is the SMILES notation for 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The canonical SMILES for 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is Cn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3cnc4ncccn34)cc21.
What is the InChIKey of 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The InChIKey is BDWVYFCFVWVJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-30-21-15-17(22-16-27-25-26-9-4-10-32(22)25)7-8-19(21)29-23(24(30)33)28-18-5-2-3-6-20(18)31-11-13-34-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,28,29).
What are the key properties of 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one has a molecular weight of 453.51 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is sourced from PubChem (CID 146479528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).