2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid

C17H13ClN2O5 — CID 168552022

IUPAC2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
SMILESCOc1cc(Cl)cc(-c2nc3ccccc3c(=O)[nH]2)c1OCC(=O)O
InChIInChI=1S/C17H13ClN2O5/c1-24-13-7-9(18)6-11(15(13)25-8-14(21)22)16-19-12-5-3-2-4-10(12)17(23)20-16/h2-7H,8H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyOHPNAIPWZHJGEW-UHFFFAOYSA-N
MW360.75 g/mol
LogP2.72
Rot. Bonds5

About 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid

2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid (PubChem CID 168552022) has the molecular formula C17H13ClN2O5 and a molecular weight of 360.75 g/mol. Its IUPAC name is 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
PubChem CID168552022
Molecular FormulaC17H13ClN2O5
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC Name2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
SMILESCOc1cc(Cl)cc(-c2nc3ccccc3c(=O)[nH]2)c1OCC(=O)O
InChIInChI=1S/C17H13ClN2O5/c1-24-13-7-9(18)6-11(15(13)25-8-14(21)22)16-19-12-5-3-2-4-10(12)17(23)20-16/h2-7H,8H2,1H3,(H,21,22)(H,19,20,23)
InChIKeyOHPNAIPWZHJGEW-UHFFFAOYSA-N
XLogP2.72
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
2-[2,6-dibromo-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 168553022
2-[2-(1H-benzimidazol-2-yl)-6-methoxy-4-nitrophenoxy]acetic acid
CID 168554565
2-(2-hydroxy-5-methoxy-4-methylphenyl)-3H-quinazolin-4-one
CID 168551471
2-(5-ethyl-2-hydroxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551469
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3H-quinazolin-4-one
CID 135452683
ethyl 3-[2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]propanoate
CID 168552428
[4-chloro-2-(4-oxo-3H-quinazolin-2-yl)phenyl] dihydrogen phosphate
CID 135532368
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid (CID 168552022) is 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid is COc1cc(Cl)cc(-c2nc3ccccc3c(=O)[nH]2)c1OCC(=O)O.
What is the InChIKey of 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
The InChIKey is OHPNAIPWZHJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5/c1-24-13-7-9(18)6-11(15(13)25-8-14(21)22)16-19-12-5-3-2-4-10(12)17(23)20-16/h2-7H,8H2,1H3,(H,21,22)(H,19,20,23).
What are the key properties of 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid?
2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid has a molecular weight of 360.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methoxy-6-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 168552022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).