ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

C24H24N2O4 — CID 135125393

IUPACethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OCc1cc(-c3ccc4cccnc4c3)ccc1O2
InChIInChI=1S/C24H24N2O4/c1-2-28-23(27)26-12-9-24(10-13-26)29-16-20-14-18(7-8-22(20)30-24)19-6-5-17-4-3-11-25-21(17)15-19/h3-8,11,14-15H,2,9-10,12-13,16H2,1H3
InChIKeyBFNVBDWQLAWGAF-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.76
Rot. Bonds2

About ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate (PubChem CID 135125393) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
PubChem CID135125393
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OCc1cc(-c3ccc4cccnc4c3)ccc1O2
InChIInChI=1S/C24H24N2O4/c1-2-28-23(27)26-12-9-24(10-13-26)29-16-20-14-18(7-8-22(20)30-24)19-6-5-17-4-3-11-25-21(17)15-19/h3-8,11,14-15H,2,9-10,12-13,16H2,1H3
InChIKeyBFNVBDWQLAWGAF-UHFFFAOYSA-N
XLogP4.76
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125244
[6-(8-chloroquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(oxolan-2-yl)methanone
CID 158936111
tert-butyl 6-[3-(2-anilino-2-oxoethoxy)phenyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 58711769
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126475482
ethyl 4-[[6-(quinolin-7-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 118754894
6-[2-amino-5-[1'-(3,3-dimethylbutanoyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl]-6-fluoro-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166094299
1-(6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)-2-(4-methoxyphenyl)ethanone
CID 126473582
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
tert-butyl 2-cyano-2-(4-quinolin-7-ylphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 146471062
quinolin-7-yl 2-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170666412
5-(8-methoxyquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxamide
CID 135124838
2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
CID 11503708

Frequently Asked Questions

What is the IUPAC name of ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate (CID 135125393) is ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)OCc1cc(-c3ccc4cccnc4c3)ccc1O2.
What is the InChIKey of ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is BFNVBDWQLAWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-28-23(27)26-12-9-24(10-13-26)29-16-20-14-18(7-8-22(20)30-24)19-6-5-17-4-3-11-25-21(17)15-19/h3-8,11,14-15H,2,9-10,12-13,16H2,1H3.
What are the key properties of ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 135125393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).