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

C18H24ClN5O2S — CID 157041131

IUPAC[8-(6-chloro-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(Cl)cc34)CC2)C1
InChIInChI=1S/C18H24ClN5O2S/c1-26-16-10-15-13(9-14(16)19)17(22-12-21-15)23-6-3-18(4-7-23)5-8-24(11-18)27(2,20)25/h9-10,12,20H,3-8,11H2,1-2H3
InChIKeyNNRVMJHJEZQWJY-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.18
Rot. Bonds3

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

[8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 157041131) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is [8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
PubChem CID157041131
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC Name[8-(6-chloro-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(Cl)cc34)CC2)C1
InChIInChI=1S/C18H24ClN5O2S/c1-26-16-10-15-13(9-14(16)19)17(22-12-21-15)23-6-3-18(4-7-23)5-8-24(11-18)27(2,20)25/h9-10,12,20H,3-8,11H2,1-2H3
InChIKeyNNRVMJHJEZQWJY-UHFFFAOYSA-N
XLogP3.18
TPSA82.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-(6-chloro-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-(fluoromethoxy)-7-methoxyquinazolin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 166561976
6-chloro-7-methoxy-4-(2-methylsulfanyl-2,8-diazaspiro[4.5]decan-8-yl)quinazoline
CID 157040832
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014
2-[1-(6-chloro-7-methoxyquinazolin-4-yl)piperidin-4-yl]ethanethiol
CID 157040643
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
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(6,7-dimethoxyquinazolin-4-yl)-6,6-difluoro-1,4-diazepane-1-sulfonamide;hydrochloride
CID 156824086
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
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
7-(7-fluoro-6-methoxyquinazolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133493393

Frequently Asked Questions

What is the IUPAC name of [8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane (CID 157041131) is [8-(6-chloro-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-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [8-(6-chloro-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(Cl)cc34)CC2)C1.
What is the InChIKey of [8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is NNRVMJHJEZQWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2S/c1-26-16-10-15-13(9-14(16)19)17(22-12-21-15)23-6-3-18(4-7-23)5-8-24(11-18)27(2,20)25/h9-10,12,20H,3-8,11H2,1-2H3.
What are the key properties of [8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane?
[8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 409.94 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-chloro-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 157041131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).