8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline

C17H22N4O2S — CID 157041068

IUPAC8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline
SMILESCOc1cccc2c(N3CCC4(CC3)CN(S(C)=O)C4)ncnc12
InChIInChI=1S/C17H22N4O2S/c1-23-14-5-3-4-13-15(14)18-12-19-16(13)20-8-6-17(7-9-20)10-21(11-17)24(2)22/h3-5,12H,6-11H2,1-2H3
InChIKeyWAYODUISXSKJAS-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.83
Rot. Bonds3

About 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline

8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline (PubChem CID 157041068) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline.

Molecular Properties

Compound Name8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline
PubChem CID157041068
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline
SMILESCOc1cccc2c(N3CCC4(CC3)CN(S(C)=O)C4)ncnc12
InChIInChI=1S/C17H22N4O2S/c1-23-14-5-3-4-13-15(14)18-12-19-16(13)20-8-6-17(7-9-20)10-21(11-17)24(2)22/h3-5,12H,6-11H2,1-2H3
InChIKeyWAYODUISXSKJAS-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
CID 157040738
6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
CID 157040957
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
bis[1-cyano-2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethoxy]-oxophosphanium
CID 175387354
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
CID 166527049
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
3-methoxy-1-(5-methoxyquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 154771473
8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 154740101
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284
4-(4-ethylpiperazin-4-ium-1-yl)-9-methoxy-5H-pyrimido[5,4-b]indole
CID 7561994

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline?
The IUPAC name of 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline (CID 157041068) is 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline.
What is the SMILES notation for 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline?
The canonical SMILES for 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline is COc1cccc2c(N3CCC4(CC3)CN(S(C)=O)C4)ncnc12.
What is the InChIKey of 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline?
The InChIKey is WAYODUISXSKJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-23-14-5-3-4-13-15(14)18-12-19-16(13)20-8-6-17(7-9-20)10-21(11-17)24(2)22/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline?
8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline has a molecular weight of 346.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline is sourced from PubChem (CID 157041068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).