2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid

C22H23FN2O7 — CID 66907480

IUPAC2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
SMILESCOCCOc1cc2ncnc(Oc3ccc(CC(=O)O)cc3F)c2cc1OCCOC
InChIInChI=1S/C22H23FN2O7/c1-28-5-7-30-19-11-15-17(12-20(19)31-8-6-29-2)24-13-25-22(15)32-18-4-3-14(9-16(18)23)10-21(26)27/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,26,27)
InChIKeyRKHXYMHUUDDQQP-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.24
Rot. Bonds12

About 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid

2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid (PubChem CID 66907480) has the molecular formula C22H23FN2O7 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
PubChem CID66907480
Molecular FormulaC22H23FN2O7
Molecular Weight446.43 g/mol
Exact Mass446.15
IUPAC Name2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
SMILESCOCCOc1cc2ncnc(Oc3ccc(CC(=O)O)cc3F)c2cc1OCCOC
InChIInChI=1S/C22H23FN2O7/c1-28-5-7-30-19-11-15-17(12-20(19)31-8-6-29-2)24-13-25-22(15)32-18-4-3-14(9-16(18)23)10-21(26)27/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,26,27)
InChIKeyRKHXYMHUUDDQQP-UHFFFAOYSA-N
XLogP3.24
TPSA109.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.24
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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Related Compounds

2-[3-fluoro-4-(2-methoxyethoxy)phenyl]acetic acid
CID 154827727
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
CID 159567255
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
3-[2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-methylphenyl]acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 158942229
3-[2-[3-fluoro-4-[6-methoxy-7-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167541865
5-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinazolin-7-yl]oxypentanoic acid
CID 147510132
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 159265292
5-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluoroanilino]-3-(4-fluorophenyl)-1H-1,6-naphthyridin-4-one
CID 71621792
8-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluoroanilino]-2-(4-fluorophenyl)-2,7-naphthyridin-1-one
CID 71510708
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2,6-difluorophenyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 155671397

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid (CID 66907480) is 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid is COCCOc1cc2ncnc(Oc3ccc(CC(=O)O)cc3F)c2cc1OCCOC.
What is the InChIKey of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid?
The InChIKey is RKHXYMHUUDDQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O7/c1-28-5-7-30-19-11-15-17(12-20(19)31-8-6-29-2)24-13-25-22(15)32-18-4-3-14(9-16(18)23)10-21(26)27/h3-4,9,11-13H,5-8,10H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid?
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid has a molecular weight of 446.43 g/mol, XLogP of 3.24, 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-4-yl]oxy-3-fluorophenyl]acetic acid is sourced from PubChem (CID 66907480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).