3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline

C22H22N6O — CID 91122899

IUPAC3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline
SMILESCn1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(-c2cccc(N)c2)n1
InChIInChI=1S/C22H22N6O/c1-27-14-18(22(26-27)16-3-2-4-17(23)11-16)15-5-6-19-20(12-15)25-21(13-24-19)28-7-9-29-10-8-28/h2-6,11-14H,7-10,23H2,1H3
InChIKeyDRVWYZBWSZBESG-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.12
Rot. Bonds3

About 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline

3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline (PubChem CID 91122899) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline.

Molecular Properties

Compound Name3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline
PubChem CID91122899
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline
SMILESCn1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(-c2cccc(N)c2)n1
InChIInChI=1S/C22H22N6O/c1-27-14-18(22(26-27)16-3-2-4-17(23)11-16)15-5-6-19-20(12-15)25-21(13-24-19)28-7-9-29-10-8-28/h2-6,11-14H,7-10,23H2,1H3
InChIKeyDRVWYZBWSZBESG-UHFFFAOYSA-N
XLogP3.12
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 174653885
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 147372579
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline?
The IUPAC name of 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline (CID 91122899) is 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline.
What is the SMILES notation for 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline?
The canonical SMILES for 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline is Cn1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(-c2cccc(N)c2)n1.
What is the InChIKey of 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline?
The InChIKey is DRVWYZBWSZBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-27-14-18(22(26-27)16-3-2-4-17(23)11-16)15-5-6-19-20(12-15)25-21(13-24-19)28-7-9-29-10-8-28/h2-6,11-14H,7-10,23H2,1H3.
What are the key properties of 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline?
3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline has a molecular weight of 386.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline is sourced from PubChem (CID 91122899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).