[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane

C19H26FN5O3S — CID 166561976

IUPAC[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC2(CCN(c3ncnc4cc(OC)c(OCF)cc34)CC2)C1
InChIInChI=1S/C19H26FN5O3S/c1-27-16-10-15-14(9-17(16)28-12-20)18(23-13-22-15)24-6-3-19(4-7-24)5-8-25(11-19)29(2,21)26/h9-10,13,21H,3-8,11-12H2,1-2H3
InChIKeyXOPKYVVCZYIRTR-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.83
Rot. Bonds5

About [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane

[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 166561976) has the molecular formula C19H26FN5O3S and a molecular weight of 423.51 g/mol. Its IUPAC name is [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
PubChem CID166561976
Molecular FormulaC19H26FN5O3S
Molecular Weight423.51 g/mol
Exact Mass423.17
IUPAC Name[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)N1CCC2(CCN(c3ncnc4cc(OC)c(OCF)cc34)CC2)C1
InChIInChI=1S/C19H26FN5O3S/c1-27-16-10-15-14(9-17(16)28-12-20)18(23-13-22-15)24-6-3-19(4-7-24)5-8-25(11-19)29(2,21)26/h9-10,13,21H,3-8,11-12H2,1-2H3
InChIKeyXOPKYVVCZYIRTR-UHFFFAOYSA-N
XLogP2.83
TPSA91.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane with MolForge

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Related Compounds

[8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 157041131
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014
6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
CID 157040957
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
CID 156824086
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline
CID 157040832
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazoline
CID 154582894
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163
4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553

Frequently Asked Questions

What is the IUPAC name of [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane (CID 166561976) is [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)N1CCC2(CCN(c3ncnc4cc(OC)c(OCF)cc34)CC2)C1.
What is the InChIKey of [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is XOPKYVVCZYIRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3S/c1-27-16-10-15-14(9-17(16)28-12-20)18(23-13-22-15)24-6-3-19(4-7-24)5-8-25(11-19)29(2,21)26/h9-10,13,21H,3-8,11-12H2,1-2H3.
What are the key properties of [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
[8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 423.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[6-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).