tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C22H29N3O5 — CID 166168297

IUPACtert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCc1c(O)ccc2ncn(C3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c(=O)c12
InChIInChI=1S/C22H29N3O5/c1-14-17(26)6-5-16-18(14)19(27)25(13-23-16)15-11-22(29-12-15)7-9-24(10-8-22)20(28)30-21(2,3)4/h5-6,13,15,26H,7-12H2,1-4H3
InChIKeyOXUWRTNKOWWMCM-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 166168297) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID166168297
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Nametert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCc1c(O)ccc2ncn(C3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c(=O)c12
InChIInChI=1S/C22H29N3O5/c1-14-17(26)6-5-16-18(14)19(27)25(13-23-16)15-11-22(29-12-15)7-9-24(10-8-22)20(28)30-21(2,3)4/h5-6,13,15,26H,7-12H2,1-4H3
InChIKeyOXUWRTNKOWWMCM-UHFFFAOYSA-N
XLogP3.14
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(5-chloro-6-hydroxy-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 166169118
tert-butyl (3R)-3-[6-[2-cyano-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluorophenoxy]-5-nitro-4-oxoquinazolin-3-yl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 166168905
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
tert-butyl (3R)-3-(3-hydroxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 67402632
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl 4-(1-oxa-8-azaspiro[4.5]decan-3-yl)piperazine-1-carboxylate
CID 171767821
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 155896173
tert-butyl 3-(ethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170119756
tert-butyl 3-(N'-hydroxycarbamimidoyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 86657867
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 2-[3-(2,6-dioxopiperidin-3-yl)-4-oxoquinazolin-7-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155212116
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 166168297) is tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is Cc1c(O)ccc2ncn(C3COC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c(=O)c12.
What is the InChIKey of tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is OXUWRTNKOWWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-14-17(26)6-5-16-18(14)19(27)25(13-23-16)15-11-22(29-12-15)7-9-24(10-8-22)20(28)30-21(2,3)4/h5-6,13,15,26H,7-12H2,1-4H3.
What are the key properties of tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 415.49 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-hydroxy-5-methyl-4-oxoquinazolin-3-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 166168297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).