8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline

C21H13Cl2FN2O3S — CID 25261487

IUPAC8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline
SMILESCS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3ncnc4c(Cl)cccc34)c2)c1
InChIInChI=1S/C21H13Cl2FN2O3S/c1-30(27,28)15-8-12(24)7-14(9-15)29-13-5-6-18(22)17(10-13)20-16-3-2-4-19(23)21(16)26-11-25-20/h2-11H,1H3
InChIKeyFSUHKKALGYKGBZ-UHFFFAOYSA-N
MW463.32 g/mol
LogP5.94
Rot. Bonds4

About 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline

8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline (PubChem CID 25261487) has the molecular formula C21H13Cl2FN2O3S and a molecular weight of 463.32 g/mol. Its IUPAC name is 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline.

Molecular Properties

Compound Name8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline
PubChem CID25261487
Molecular FormulaC21H13Cl2FN2O3S
Molecular Weight463.32 g/mol
Exact Mass462.00
IUPAC Name8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline
SMILESCS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3ncnc4c(Cl)cccc34)c2)c1
InChIInChI=1S/C21H13Cl2FN2O3S/c1-30(27,28)15-8-12(24)7-14(9-15)29-13-5-6-18(22)17(10-13)20-16-3-2-4-19(23)21(16)26-11-25-20/h2-11H,1H3
InChIKeyFSUHKKALGYKGBZ-UHFFFAOYSA-N
XLogP5.94
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-4-[5-(3-ethylsulfonyl-5-fluorophenoxy)-2-fluorophenyl]quinazoline
CID 25260843
2-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylacetonitrile
CID 59411241
3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol
CID 25261002
acetic acid;tris(3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]-N-methylbenzenesulfonamide);ethyl acetate
CID 159700085
4-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpentan-1-amine
CID 91294133
4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 68876326
4-[5-(3-chloro-5-methylsulfonylphenoxy)-2-fluorophenyl]-8-methoxyquinoline
CID 68878270
2-[4-chloro-3-[8-(trifluoromethyl)quinazolin-4-yl]phenoxy]-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 86643524
3-[1-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 91561797
N-[3-[3-[4-fluoro-3-[8-(trifluoromethyl)quinazolin-4-yl]phenoxy]phenyl]sulfonylpropyl]methanesulfonamide
CID 46213262
3-[3-[4-chloro-3-[2-methyl-8-(trifluoromethyl)quinazolin-4-yl]phenoxy]phenyl]sulfonylpropan-1-ol
CID 25261001
3-benzyl-8-chloro-4-[3-(3-methylsulfonylphenoxy)phenyl]quinoline
CID 25100149

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline?
The IUPAC name of 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline (CID 25261487) is 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline.
What is the SMILES notation for 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline?
The canonical SMILES for 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline is CS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3ncnc4c(Cl)cccc34)c2)c1.
What is the InChIKey of 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline?
The InChIKey is FSUHKKALGYKGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN2O3S/c1-30(27,28)15-8-12(24)7-14(9-15)29-13-5-6-18(22)17(10-13)20-16-3-2-4-19(23)21(16)26-11-25-20/h2-11H,1H3.
What are the key properties of 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline?
8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline has a molecular weight of 463.32 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline is sourced from PubChem (CID 25261487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).