9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane

C17H21N3OS — CID 167748744

IUPAC9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane
SMILESCSc1ccc2ncnc(N3CCCC4(CCCO4)C3)c2c1
InChIInChI=1S/C17H21N3OS/c1-22-13-4-5-15-14(10-13)16(19-12-18-15)20-8-2-6-17(11-20)7-3-9-21-17/h4-5,10,12H,2-3,6-9,11H2,1H3
InChIKeyQXBFBDAYQDLBSV-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.50
Rot. Bonds2

About 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane

9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 167748744) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID167748744
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane
SMILESCSc1ccc2ncnc(N3CCCC4(CCCO4)C3)c2c1
InChIInChI=1S/C17H21N3OS/c1-22-13-4-5-15-14(10-13)16(19-12-18-15)20-8-2-6-17(11-20)7-3-9-21-17/h4-5,10,12H,2-3,6-9,11H2,1H3
InChIKeyQXBFBDAYQDLBSV-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
4-[4-(5-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)quinazolin-7-yl]morpholine
CID 68242731
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinazolin-4-amine
CID 45817887
4-[2-(4-Methylsulfanylphenyl)quinazolin-4-yl]morpholine
CID 168281806
6-Fluoro-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazoline
CID 72105140
6-fluoro-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 95973225
6-fluoro-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 95973226
N-ethyl-6-fluoro-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 133309587
2-(3,4-Difluorophenyl)-4-(6-methylsulfonylquinazolin-4-yl)morpholine
CID 133520695
2-(2-Fluorophenyl)-4-(6-methylsulfonylquinazolin-4-yl)morpholine
CID 133537163
1-(6-Methylsulfanylquinazolin-4-yl)-4-(morpholin-4-ylmethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 167757125
[8-(6-Methylsulfanylquinazolin-4-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methanamine;2,2,2-trifluoroacetic acid
CID 167763651

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane (CID 167748744) is 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane is CSc1ccc2ncnc(N3CCCC4(CCCO4)C3)c2c1.
What is the InChIKey of 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is QXBFBDAYQDLBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-22-13-4-5-15-14(10-13)16(19-12-18-15)20-8-2-6-17(11-20)7-3-9-21-17/h4-5,10,12H,2-3,6-9,11H2,1H3.
What are the key properties of 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane?
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 315.44 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 167748744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).