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

C23H18ClFN2O4S — CID 25261002

IUPAC3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1cccc(Oc2ccc(F)c(-c3ncnc4c(Cl)cccc34)c2)c1
InChIInChI=1S/C23H18ClFN2O4S/c24-20-7-2-6-18-22(26-14-27-23(18)20)19-13-16(8-9-21(19)25)31-15-4-1-5-17(12-15)32(29,30)11-3-10-28/h1-2,4-9,12-14,28H,3,10-11H2
InChIKeyLKGFKICXAJSTCT-UHFFFAOYSA-N
MW472.93 g/mol
LogP5.04
Rot. Bonds7

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

3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol (PubChem CID 25261002) has the molecular formula C23H18ClFN2O4S and a molecular weight of 472.93 g/mol. Its IUPAC name is 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol
PubChem CID25261002
Molecular FormulaC23H18ClFN2O4S
Molecular Weight472.93 g/mol
Exact Mass472.07
IUPAC Name3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1cccc(Oc2ccc(F)c(-c3ncnc4c(Cl)cccc34)c2)c1
InChIInChI=1S/C23H18ClFN2O4S/c24-20-7-2-6-18-22(26-14-27-23(18)20)19-13-16(8-9-21(19)25)31-15-4-1-5-17(12-15)32(29,30)11-3-10-28/h1-2,4-9,12-14,28H,3,10-11H2
InChIKeyLKGFKICXAJSTCT-UHFFFAOYSA-N
XLogP5.04
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.93
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylacetonitrile
CID 59411241
8-chloro-4-[5-(3-ethylsulfonyl-5-fluorophenoxy)-2-fluorophenyl]quinazoline
CID 25260843
4-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpentan-1-amine
CID 91294133
N-[3-[3-[4-fluoro-3-[8-(trifluoromethyl)quinazolin-4-yl]phenoxy]phenyl]sulfonylpropyl]methanesulfonamide
CID 46213262
3-[3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]phenyl]sulfonylpropan-1-ol
CID 68876391
3-[3-[4-chloro-3-[2-methyl-8-(trifluoromethyl)quinazolin-4-yl]phenoxy]phenyl]sulfonylpropan-1-ol
CID 25261001
8-chloro-4-[2-chloro-5-(3-fluoro-5-methylsulfonylphenoxy)phenyl]quinazoline
CID 25261487
acetic acid;tris(3-[4-chloro-3-(8-chloroquinazolin-4-yl)phenoxy]-N-methylbenzenesulfonamide);ethyl acetate
CID 159700085
3-[1-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 91561797
4-[3-(3-ethylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinazoline
CID 25262111
2-[4-chloro-2-[3-(3-hydroxypropylsulfonyl)phenyl]phenoxy]acetic acid
CID 70673272
4-[5-(3-chloro-5-methylsulfonylphenoxy)-2-fluorophenyl]-8-methoxyquinoline
CID 68878270

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol?
The IUPAC name of 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol (CID 25261002) is 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol.
What is the SMILES notation for 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol?
The canonical SMILES for 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol is O=S(=O)(CCCO)c1cccc(Oc2ccc(F)c(-c3ncnc4c(Cl)cccc34)c2)c1.
What is the InChIKey of 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol?
The InChIKey is LKGFKICXAJSTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O4S/c24-20-7-2-6-18-22(26-14-27-23(18)20)19-13-16(8-9-21(19)25)31-15-4-1-5-17(12-15)32(29,30)11-3-10-28/h1-2,4-9,12-14,28H,3,10-11H2.
What are the key properties of 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol?
3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol has a molecular weight of 472.93 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(8-chloroquinazolin-4-yl)-4-fluorophenoxy]phenyl]sulfonylpropan-1-ol is sourced from PubChem (CID 25261002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).