tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C25H31N5O5 — CID 155212116

IUPACtert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc3c(=O)n(C4CCC(=O)NC4=O)cnc3c1)C2
InChIInChI=1S/C25H31N5O5/c1-24(2,3)35-23(34)28-10-8-25(9-11-28)13-29(14-25)16-4-5-17-18(12-16)26-15-30(22(17)33)19-6-7-20(31)27-21(19)32/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,27,31,32)
InChIKeyMDKVXIRMYFSRBY-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 155212116) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID155212116
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Nametert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc3c(=O)n(C4CCC(=O)NC4=O)cnc3c1)C2
InChIInChI=1S/C25H31N5O5/c1-24(2,3)35-23(34)28-10-8-25(9-11-28)13-29(14-25)16-4-5-17-18(12-16)26-15-30(22(17)33)19-6-7-20(31)27-21(19)32/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,27,31,32)
InChIKeyMDKVXIRMYFSRBY-UHFFFAOYSA-N
XLogP2.21
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 178005256
tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175984559
tert-butyl 6-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 178005677
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazine-1-carboxylate
CID 155438203
tert-butyl 2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-2-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 171657380
tert-butyl 6-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 171565372
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-methyl-1,3-dioxopyrrolo[3,4-b]indol-6-yl]piperazine-1-carboxylate
CID 170669672
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336
ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
CID 171626775
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
tert-butyl 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 165137061

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 155212116) is tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc3c(=O)n(C4CCC(=O)NC4=O)cnc3c1)C2.
What is the InChIKey of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is MDKVXIRMYFSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-24(2,3)35-23(34)28-10-8-25(9-11-28)13-29(14-25)16-4-5-17-18(12-16)26-15-30(22(17)33)19-6-7-20(31)27-21(19)32/h4-5,12,15,19H,6-11,13-14H2,1-3H3,(H,27,31,32).
What are the key properties of tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 155212116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).