7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one

C22H25N3O2 — CID 56842003

IUPAC7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one
SMILESCCN(CC)c1ccc2c(c1)OC1(C=C2)C(=O)N(C)c2ccccc2N1C
InChIInChI=1S/C22H25N3O2/c1-5-25(6-2)17-12-11-16-13-14-22(27-20(16)15-17)21(26)23(3)18-9-7-8-10-19(18)24(22)4/h7-15H,5-6H2,1-4H3
InChIKeyZXYGXVPPZLKHDH-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.75
Rot. Bonds3

About 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one

7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one (PubChem CID 56842003) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one.

Molecular Properties

Compound Name7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one
PubChem CID56842003
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one
SMILESCCN(CC)c1ccc2c(c1)OC1(C=C2)C(=O)N(C)c2ccccc2N1C
InChIInChI=1S/C22H25N3O2/c1-5-25(6-2)17-12-11-16-13-14-22(27-20(16)15-17)21(26)23(3)18-9-7-8-10-19(18)24(22)4/h7-15H,5-6H2,1-4H3
InChIKeyZXYGXVPPZLKHDH-UHFFFAOYSA-N
XLogP3.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
CID 101359385
N,N-diethyl-3,3-difluoro-4-[4-(4-phenylphenyl)phenyl]-2-oxa-4-azonia-3-boranuidabicyclo[4.4.0]deca-1(6),4,7,9-tetraen-9-amine
CID 58291315
N,N-diethyl-2H-chromen-7-amine
CID 10750672
2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
CID 83853065
N,N-diethylbenzo[d][1]benzoxepin-3-amine
CID 69313406
6-[4-(diethylamino)phenyl]-3,4-diphenylpyran-2-one
CID 71350905
N,N'-bis[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]oxamide
CID 101429831
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806
3,7-bis(diethylamino)-N,N-diethylphenoxazine-10-carboxamide
CID 102485913
1-[9-(diethylamino)-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 68892457

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one?
The IUPAC name of 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one (CID 56842003) is 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one.
What is the SMILES notation for 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one?
The canonical SMILES for 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one is CCN(CC)c1ccc2c(c1)OC1(C=C2)C(=O)N(C)c2ccccc2N1C.
What is the InChIKey of 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one?
The InChIKey is ZXYGXVPPZLKHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-25(6-2)17-12-11-16-13-14-22(27-20(16)15-17)21(26)23(3)18-9-7-8-10-19(18)24(22)4/h7-15H,5-6H2,1-4H3.
What are the key properties of 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one?
7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one has a molecular weight of 363.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one is sourced from PubChem (CID 56842003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).