3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol

C23H18Cl2N2O4S — CID 25261163

IUPAC3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1cccc(Oc2ccc(Cl)c(-c3ncnc4c(Cl)cccc34)c2)c1
InChIInChI=1S/C23H18Cl2N2O4S/c24-20-9-8-16(31-15-4-1-5-17(12-15)32(29,30)11-3-10-28)13-19(20)22-18-6-2-7-21(25)23(18)27-14-26-22/h1-2,4-9,12-14,28H,3,10-11H2
InChIKeyOZODSHBRTQHCTK-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.55
Rot. Bonds7

About 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol

3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol (PubChem CID 25261163) has the molecular formula C23H18Cl2N2O4S and a molecular weight of 489.38 g/mol. Its IUPAC name is 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol
PubChem CID25261163
Molecular FormulaC23H18Cl2N2O4S
Molecular Weight489.38 g/mol
Exact Mass488.04
IUPAC Name3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1cccc(Oc2ccc(Cl)c(-c3ncnc4c(Cl)cccc34)c2)c1
InChIInChI=1S/C23H18Cl2N2O4S/c24-20-9-8-16(31-15-4-1-5-17(12-15)32(29,30)11-3-10-28)13-19(20)22-18-6-2-7-21(25)23(18)27-14-26-22/h1-2,4-9,12-14,28H,3,10-11H2
InChIKeyOZODSHBRTQHCTK-UHFFFAOYSA-N
XLogP5.55
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3-Chloro-5-methylsulfonylphenoxy)-2-fluorophenyl]-8-(trifluoromethyl)quinazoline
CID 25260686
4-[2-Chloro-5-(3-methylsulfonylphenoxy)phenyl]-2-methyl-8-(trifluoromethyl)quinazoline
CID 25260687
4-[2-Chloro-5-(3-ethylsulfonylphenoxy)phenyl]-2-methyl-8-(trifluoromethyl)quinazoline
CID 25260688
4-[2-Chloro-5-(3-propan-2-ylsulfonylphenoxy)phenyl]-2-methyl-8-(trifluoromethyl)quinazoline
CID 25260689
4-[2-Chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]-2-methyl-8-(trifluoromethyl)quinazoline
CID 25260690
4-[2-Chloro-5-(3-ethylsulfonyl-5-fluorophenoxy)phenyl]-2-methyl-8-(trifluoromethyl)quinazoline
CID 25260840
4-[2-Chloro-5-[(3-methylsulfonylphenyl)methoxy]phenyl]-2-methyl-8-(trifluoromethyl)quinazoline
CID 25260841
8-Chloro-4-[2-fluoro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline
CID 25260842
8-Chloro-4-[5-(3-ethylsulfonyl-5-fluorophenoxy)-2-fluorophenyl]quinazoline
CID 25260843
8-Chloro-4-[2-fluoro-5-[(3-methylsulfonylphenyl)methoxy]phenyl]quinazoline
CID 25260844
8-Chloro-4-[5-(3-ethylsulfonylphenoxy)-2-fluorophenyl]quinazoline
CID 25260845
8-Chloro-4-[2-fluoro-5-(3-propan-2-ylsulfonylphenoxy)phenyl]quinazoline
CID 25260997

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol?
The IUPAC name of 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol (CID 25261163) is 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol is O=S(=O)(CCCO)c1cccc(Oc2ccc(Cl)c(-c3ncnc4c(Cl)cccc34)c2)c1.
What is the InChIKey of 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol?
The InChIKey is OZODSHBRTQHCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O4S/c24-20-9-8-16(31-15-4-1-5-17(12-15)32(29,30)11-3-10-28)13-19(20)22-18-6-2-7-21(25)23(18)27-14-26-22/h1-2,4-9,12-14,28H,3,10-11H2.
What are the key properties of 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol?
3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol has a molecular weight of 489.38 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol is sourced from PubChem (CID 25261163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).