imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane

C16H15N3O3S — CID 157040699

IUPACimino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ncnc3cc(OC)ccc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-21-12-5-8-14-15(9-12)18-10-19-16(14)22-11-3-6-13(7-4-11)23(2,17)20/h3-10,17H,1-2H3
InChIKeyCEGIRJOKSFKRJB-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.47
Rot. Bonds4

About imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane

imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane (PubChem CID 157040699) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane
PubChem CID157040699
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameimino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ncnc3cc(OC)ccc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-21-12-5-8-14-15(9-12)18-10-19-16(14)22-11-3-6-13(7-4-11)23(2,17)20/h3-10,17H,1-2H3
InChIKeyCEGIRJOKSFKRJB-UHFFFAOYSA-N
XLogP3.47
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane (CID 157040699) is imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ncnc3cc(OC)ccc23)cc1.
What is the InChIKey of imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
The InChIKey is CEGIRJOKSFKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-12-5-8-14-15(9-12)18-10-19-16(14)22-11-3-6-13(7-4-11)23(2,17)20/h3-10,17H,1-2H3.
What are the key properties of imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane has a molecular weight of 329.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 157040699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).