[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane

C17H16F2N4O2S — CID 177346128

IUPAC[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
SMILES[H]N=S(C)(=N[H])c1cc(F)cc(COc2ncnc3cc(OC)c(F)cc23)c1
InChIInChI=1S/C17H16F2N4O2S/c1-24-16-7-15-13(6-14(16)19)17(23-9-22-15)25-8-10-3-11(18)5-12(4-10)26(2,20)21/h3-7,9,20-21H,8H2,1-2H3
InChIKeyQFJMNKKHIFDNPP-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.16
Rot. Bonds5

About [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane

[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane (PubChem CID 177346128) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane.

Molecular Properties

Compound Name[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
PubChem CID177346128
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
SMILES[H]N=S(C)(=N[H])c1cc(F)cc(COc2ncnc3cc(OC)c(F)cc23)c1
InChIInChI=1S/C17H16F2N4O2S/c1-24-16-7-15-13(6-14(16)19)17(23-9-22-15)25-8-10-3-11(18)5-12(4-10)26(2,20)21/h3-7,9,20-21H,8H2,1-2H3
InChIKeyQFJMNKKHIFDNPP-UHFFFAOYSA-N
XLogP4.16
TPSA91.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane with MolForge

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Related Compounds

[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
CID 177346072
[[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-methyl-λ4-sulfanylidene]azanium;2,4,6-trimethylbenzenesulfonate
CID 177345973
[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 177053029
4-chloro-6-fluoro-7-phenylmethoxyquinazoline
CID 86605229
N-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2,4-difluorophenyl]hydroxylamine
CID 118527987
5-fluoro-6-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)oxy-1H-pyrimidin-2-one
CID 97044038
4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
CID 133489416
cyclopropyl-diimino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-λ6-sulfane
CID 177346125
6,7-dimethoxy-4-(thian-4-ylmethoxy)quinazoline
CID 157041055
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane
CID 177346013
3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinazolin-4-yl]oxy-N-methylaniline
CID 168943068

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
The IUPAC name of [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane (CID 177346128) is [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane.
What is the SMILES notation for [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
The canonical SMILES for [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane is [H]N=S(C)(=N[H])c1cc(F)cc(COc2ncnc3cc(OC)c(F)cc23)c1.
What is the InChIKey of [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
The InChIKey is QFJMNKKHIFDNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-24-16-7-15-13(6-14(16)19)17(23-9-22-15)25-8-10-3-11(18)5-12(4-10)26(2,20)21/h3-7,9,20-21H,8H2,1-2H3.
What are the key properties of [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane has a molecular weight of 378.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane is sourced from PubChem (CID 177346128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).