2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid

C22H24N2O7 — CID 66907205

IUPAC2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid
SMILESCOCCOc1cc2cnc(Oc3ccc(CC(=O)O)cc3)nc2cc1OCCOC
InChIInChI=1S/C22H24N2O7/c1-27-7-9-29-19-12-16-14-23-22(24-18(16)13-20(19)30-10-8-28-2)31-17-5-3-15(4-6-17)11-21(25)26/h3-6,12-14H,7-11H2,1-2H3,(H,25,26)
InChIKeyOAHSEKSDNSWPMX-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.10
Rot. Bonds12

About 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid

2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid (PubChem CID 66907205) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid
PubChem CID66907205
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Name2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid
SMILESCOCCOc1cc2cnc(Oc3ccc(CC(=O)O)cc3)nc2cc1OCCOC
InChIInChI=1S/C22H24N2O7/c1-27-7-9-29-19-12-16-14-23-22(24-18(16)13-20(19)30-10-8-28-2)31-17-5-3-15(4-6-17)11-21(25)26/h3-6,12-14H,7-11H2,1-2H3,(H,25,26)
InChIKeyOAHSEKSDNSWPMX-UHFFFAOYSA-N
XLogP3.10
TPSA109.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid (CID 66907205) is 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid is COCCOc1cc2cnc(Oc3ccc(CC(=O)O)cc3)nc2cc1OCCOC.
What is the InChIKey of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid?
The InChIKey is OAHSEKSDNSWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7/c1-27-7-9-29-19-12-16-14-23-22(24-18(16)13-20(19)30-10-8-28-2)31-17-5-3-15(4-6-17)11-21(25)26/h3-6,12-14H,7-11H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid?
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid has a molecular weight of 428.44 g/mol, XLogP of 3.10, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-2-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 66907205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).