2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid

C17H12ClFN2O3 — CID 42606692

IUPAC2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(F)c2cnc(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H12ClFN2O3/c18-11-3-1-10(2-4-11)7-15-20-8-12-13(19)5-6-14(17(12)21-15)24-9-16(22)23/h1-6,8H,7,9H2,(H,22,23)
InChIKeyDKIURECAQPWMIH-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.48
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid

2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid (PubChem CID 42606692) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid
PubChem CID42606692
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(F)c2cnc(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H12ClFN2O3/c18-11-3-1-10(2-4-11)7-15-20-8-12-13(19)5-6-14(17(12)21-15)24-9-16(22)23/h1-6,8H,7,9H2,(H,22,23)
InChIKeyDKIURECAQPWMIH-UHFFFAOYSA-N
XLogP3.48
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-chloro-2-[(4-chlorophenyl)methyl]quinolin-8-yl]oxyacetate
CID 68863621
2-[2-(4-chlorophenoxy)-3-fluorophenoxy]acetic acid
CID 110160703
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[4-chloro-2-[2-(2-phenylethyl)pyrimidin-5-yl]phenoxy]acetic acid
CID 58333674
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
2-[2-chloro-3-[(4-chlorophenyl)methyl]-4,7-dimethylquinolin-5-yl]oxyacetic acid
CID 141173311
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-chloro-2-[2-fluoro-4-(methoxymethyl)phenyl]phenoxy]acetic acid
CID 70673149
2-[2-ethyl-8-fluoro-4-methyl-3-[(4-methylsulfonylphenyl)methyl]quinolin-5-yl]oxyacetic acid
CID 25028068

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid (CID 42606692) is 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid is O=C(O)COc1ccc(F)c2cnc(Cc3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid?
The InChIKey is DKIURECAQPWMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c18-11-3-1-10(2-4-11)7-15-20-8-12-13(19)5-6-14(17(12)21-15)24-9-16(22)23/h1-6,8H,7,9H2,(H,22,23).
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid?
2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid has a molecular weight of 346.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-5-fluoroquinazolin-8-yl]oxyacetic acid is sourced from PubChem (CID 42606692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).