imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane

C17H24N4O2S — CID 166561843

IUPACimino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CCC1CCN(c2ncnc3cc(OC)ccc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-23-14-3-4-15-16(11-14)19-12-20-17(15)21-8-5-13(6-9-21)7-10-24(2,18)22/h3-4,11-13,18H,5-10H2,1-2H3
InChIKeyMUJAPUHPXWSMBK-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.92
Rot. Bonds5

About imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane

imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane (PubChem CID 166561843) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane
PubChem CID166561843
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Nameimino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CCC1CCN(c2ncnc3cc(OC)ccc23)CC1
InChIInChI=1S/C17H24N4O2S/c1-23-14-3-4-15-16(11-14)19-12-20-17(15)21-8-5-13(6-9-21)7-10-24(2,18)22/h3-4,11-13,18H,5-10H2,1-2H3
InChIKeyMUJAPUHPXWSMBK-UHFFFAOYSA-N
XLogP2.92
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane (CID 166561843) is imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)CCC1CCN(c2ncnc3cc(OC)ccc23)CC1.
What is the InChIKey of imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane?
The InChIKey is MUJAPUHPXWSMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-23-14-3-4-15-16(11-14)19-12-20-17(15)21-8-5-13(6-9-21)7-10-24(2,18)22/h3-4,11-13,18H,5-10H2,1-2H3.
What are the key properties of imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane?
imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane has a molecular weight of 348.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[2-[1-(7-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).