2-(2-quinazolin-2-yloxyphenoxy)propanoic acid

C17H14N2O4 — CID 70466221

IUPAC2-(2-quinazolin-2-yloxyphenoxy)propanoic acid
SMILESCC(Oc1ccccc1Oc1ncc2ccccc2n1)C(=O)O
InChIInChI=1S/C17H14N2O4/c1-11(16(20)21)22-14-8-4-5-9-15(14)23-17-18-10-12-6-2-3-7-13(12)19-17/h2-11H,1H3,(H,20,21)
InChIKeyBUNWHGWHHYWCRL-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.27
Rot. Bonds5

About 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid

2-(2-quinazolin-2-yloxyphenoxy)propanoic acid (PubChem CID 70466221) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-quinazolin-2-yloxyphenoxy)propanoic acid
PubChem CID70466221
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-(2-quinazolin-2-yloxyphenoxy)propanoic acid
SMILESCC(Oc1ccccc1Oc1ncc2ccccc2n1)C(=O)O
InChIInChI=1S/C17H14N2O4/c1-11(16(20)21)22-14-8-4-5-9-15(14)23-17-18-10-12-6-2-3-7-13(12)19-17/h2-11H,1H3,(H,20,21)
InChIKeyBUNWHGWHHYWCRL-UHFFFAOYSA-N
XLogP3.27
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
CID 103338212
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
CID 21274138
2-methoxyquinazoline
CID 594801
2-isoquinolin-8-yloxypropanoic acid
CID 82580347
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
5-methoxy-2-quinazolin-2-yloxyaniline
CID 114789345
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
4-bromo-3-quinazolin-2-yloxyaniline
CID 103011850
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
(2R)-2-(1-iodonaphthalen-2-yl)oxypropanoic acid
CID 25272767

Frequently Asked Questions

What is the IUPAC name of 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid?
The IUPAC name of 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid (CID 70466221) is 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid.
What is the SMILES notation for 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid?
The canonical SMILES for 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid is CC(Oc1ccccc1Oc1ncc2ccccc2n1)C(=O)O.
What is the InChIKey of 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid?
The InChIKey is BUNWHGWHHYWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-11(16(20)21)22-14-8-4-5-9-15(14)23-17-18-10-12-6-2-3-7-13(12)19-17/h2-11H,1H3,(H,20,21).
What are the key properties of 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid?
2-(2-quinazolin-2-yloxyphenoxy)propanoic acid has a molecular weight of 310.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinazolin-2-yloxyphenoxy)propanoic acid is sourced from PubChem (CID 70466221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).