ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

C25H26N2O4 — CID 135125244

IUPACethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OCc1cc(-c3cnc4ccccc4c3C)ccc1O2
InChIInChI=1S/C25H26N2O4/c1-3-29-24(28)27-12-10-25(11-13-27)30-16-19-14-18(8-9-23(19)31-25)21-15-26-22-7-5-4-6-20(22)17(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3
InChIKeyMNKGMKGZIFMPIG-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.07
Rot. Bonds2

About ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate (PubChem CID 135125244) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
PubChem CID135125244
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Nameethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)OCc1cc(-c3cnc4ccccc4c3C)ccc1O2
InChIInChI=1S/C25H26N2O4/c1-3-29-24(28)27-12-10-25(11-13-27)30-16-19-14-18(8-9-23(19)31-25)21-15-26-22-7-5-4-6-20(22)17(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3
InChIKeyMNKGMKGZIFMPIG-UHFFFAOYSA-N
XLogP5.07
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125393
1-(6-thiophen-2-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126472139
tert-butyl 6-[3-(2-anilino-2-oxoethoxy)phenyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 58711769
2-ethoxy-1-[4-[4-(4-methylquinolin-3-yl)phenoxy]piperidin-1-yl]ethanone
CID 147036315
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylisoquinolin-1-one
CID 58198978
[6-(8-chloroquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-(oxolan-2-yl)methanone
CID 158936111
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
4-methyl-3-(4-methylphenyl)quinoline
CID 59375945
6-(4-methoxyphenyl)-1'-methylspiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 126475482
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
CID 11503708
(S)-(3,5-dichloro-4-pyridinyl)-[[3-(1'-ethylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-1H-indazol-5-yl]oxy]methanamine
CID 167290800

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate (CID 135125244) is ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate is CCOC(=O)N1CCC2(CC1)OCc1cc(-c3cnc4ccccc4c3C)ccc1O2.
What is the InChIKey of ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is MNKGMKGZIFMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-29-24(28)27-12-10-25(11-13-27)30-16-19-14-18(8-9-23(19)31-25)21-15-26-22-7-5-4-6-20(22)17(21)2/h4-9,14-15H,3,10-13,16H2,1-2H3.
What are the key properties of ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate?
ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methylquinolin-3-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 135125244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).