tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate

C24H31N3O4 — CID 171674250

IUPACtert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCN(C(=O)c3cccc4[nH]c(=O)ccc34)C2)C1
InChIInChI=1S/C24H31N3O4/c1-23(2,3)31-22(30)27-14-6-12-24(16-27)11-5-13-26(15-24)21(29)18-7-4-8-19-17(18)9-10-20(28)25-19/h4,7-10H,5-6,11-16H2,1-3H3,(H,25,28)
InChIKeyNXWZASQGGMSURS-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.78
Rot. Bonds1

About tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate

tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate (PubChem CID 171674250) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate
PubChem CID171674250
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCCN(C(=O)c3cccc4[nH]c(=O)ccc34)C2)C1
InChIInChI=1S/C24H31N3O4/c1-23(2,3)31-22(30)27-14-6-12-24(16-27)11-5-13-26(15-24)21(29)18-7-4-8-19-17(18)9-10-20(28)25-19/h4,7-10H,5-6,11-16H2,1-3H3,(H,25,28)
InChIKeyNXWZASQGGMSURS-UHFFFAOYSA-N
XLogP3.78
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate with MolForge

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Related Compounds

tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
tert-butyl (3R)-spiro[2,4-dihydro-1H-quinoline-3,3'-piperidine]-1'-carboxylate
CID 86334393
tert-butyl 2-benzhydryl-2,9-diazaspiro[3.6]decane-9-carboxylate
CID 170772009
tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 170432555
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
CID 91927722
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 2-methylsulfonyloxy-6-azaspiro[3.5]nonane-6-carboxylate
CID 86730910
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate?
The IUPAC name of tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate (CID 171674250) is tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCCN(C(=O)c3cccc4[nH]c(=O)ccc34)C2)C1.
What is the InChIKey of tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate?
The InChIKey is NXWZASQGGMSURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-23(2,3)31-22(30)27-14-6-12-24(16-27)11-5-13-26(15-24)21(29)18-7-4-8-19-17(18)9-10-20(28)25-19/h4,7-10H,5-6,11-16H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate?
tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate has a molecular weight of 425.53 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(2-oxo-1H-quinoline-5-carbonyl)-2,8-diazaspiro[5.5]undecane-2-carboxylate is sourced from PubChem (CID 171674250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).