methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate

C15H18N2O3 — CID 134793217

IUPACmethyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate
SMILESCOC(=O)N1CC2(Cc3ccccc3N(C(C)=O)C2)C1
InChIInChI=1S/C15H18N2O3/c1-11(18)17-10-15(8-16(9-15)14(19)20-2)7-12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3
InChIKeyLIGXRGDOMCZNTL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds

About methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate

methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate (PubChem CID 134793217) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate
PubChem CID134793217
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate
SMILESCOC(=O)N1CC2(Cc3ccccc3N(C(C)=O)C2)C1
InChIInChI=1S/C15H18N2O3/c1-11(18)17-10-15(8-16(9-15)14(19)20-2)7-12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3
InChIKeyLIGXRGDOMCZNTL-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate?
The IUPAC name of methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate (CID 134793217) is methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate.
What is the SMILES notation for methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate?
The canonical SMILES for methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate is COC(=O)N1CC2(Cc3ccccc3N(C(C)=O)C2)C1.
What is the InChIKey of methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate?
The InChIKey is LIGXRGDOMCZNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(18)17-10-15(8-16(9-15)14(19)20-2)7-12-5-3-4-6-13(12)17/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate?
methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate is sourced from PubChem (CID 134793217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).