4-quinazolin-4-yloxybenzoic acid

C15H10N2O3 — CID 61395638

IUPAC4-quinazolin-4-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H10N2O3/c18-15(19)10-5-7-11(8-6-10)20-14-12-3-1-2-4-13(12)16-9-17-14/h1-9H,(H,18,19)
InChIKeyWCYNLQXSVHHFBD-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.12
Rot. Bonds3

About 4-quinazolin-4-yloxybenzoic acid

4-quinazolin-4-yloxybenzoic acid (PubChem CID 61395638) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-quinazolin-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-quinazolin-4-yloxybenzoic acid
PubChem CID61395638
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name4-quinazolin-4-yloxybenzoic acid
SMILESO=C(O)c1ccc(Oc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H10N2O3/c18-15(19)10-5-7-11(8-6-10)20-14-12-3-1-2-4-13(12)16-9-17-14/h1-9H,(H,18,19)
InChIKeyWCYNLQXSVHHFBD-UHFFFAOYSA-N
XLogP3.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-isoquinolin-1-yloxybenzoic acid
CID 80505375
2-quinazolin-4-yloxybenzoic acid
CID 61395473
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989
4-naphthalen-2-yloxyquinazoline
CID 31538161
2-(3-quinazolin-4-yloxyphenyl)acetic acid
CID 61398015
3-methyl-N-(4-quinazolin-4-yloxyphenyl)benzamide
CID 24661832
4-quinoxalin-6-yloxyquinazoline
CID 133406622
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
4-(4-pyrazol-1-ylphenoxy)quinazoline
CID 138038739
4-(5-bromoisoquinolin-1-yl)oxybenzoic acid
CID 106541777
4-phenoxybenzoic acid;hydrochloride
CID 70385625
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974

Frequently Asked Questions

What is the IUPAC name of 4-quinazolin-4-yloxybenzoic acid?
The IUPAC name of 4-quinazolin-4-yloxybenzoic acid (CID 61395638) is 4-quinazolin-4-yloxybenzoic acid.
What is the SMILES notation for 4-quinazolin-4-yloxybenzoic acid?
The canonical SMILES for 4-quinazolin-4-yloxybenzoic acid is O=C(O)c1ccc(Oc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-quinazolin-4-yloxybenzoic acid?
The InChIKey is WCYNLQXSVHHFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(19)10-5-7-11(8-6-10)20-14-12-3-1-2-4-13(12)16-9-17-14/h1-9H,(H,18,19).
What are the key properties of 4-quinazolin-4-yloxybenzoic acid?
4-quinazolin-4-yloxybenzoic acid has a molecular weight of 266.26 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinazolin-4-yloxybenzoic acid is sourced from PubChem (CID 61395638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).