3-(6-hydroxyquinazolin-4-yl)propanoic acid

C11H10N2O3 — CID 105471952

IUPAC3-(6-hydroxyquinazolin-4-yl)propanoic acid
SMILESO=C(O)CCc1ncnc2ccc(O)cc12
InChIInChI=1S/C11H10N2O3/c14-7-1-2-9-8(5-7)10(13-6-12-9)3-4-11(15)16/h1-2,5-6,14H,3-4H2,(H,15,16)
InChIKeyJWEJJRAHPCSJOQ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.35
Rot. Bonds3

About 3-(6-hydroxyquinazolin-4-yl)propanoic acid

3-(6-hydroxyquinazolin-4-yl)propanoic acid (PubChem CID 105471952) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(6-hydroxyquinazolin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-hydroxyquinazolin-4-yl)propanoic acid
PubChem CID105471952
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(6-hydroxyquinazolin-4-yl)propanoic acid
SMILESO=C(O)CCc1ncnc2ccc(O)cc12
InChIInChI=1S/C11H10N2O3/c14-7-1-2-9-8(5-7)10(13-6-12-9)3-4-11(15)16/h1-2,5-6,14H,3-4H2,(H,15,16)
InChIKeyJWEJJRAHPCSJOQ-UHFFFAOYSA-N
XLogP1.35
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyquinazolin-4-yl)propanoic acid?
The IUPAC name of 3-(6-hydroxyquinazolin-4-yl)propanoic acid (CID 105471952) is 3-(6-hydroxyquinazolin-4-yl)propanoic acid.
What is the SMILES notation for 3-(6-hydroxyquinazolin-4-yl)propanoic acid?
The canonical SMILES for 3-(6-hydroxyquinazolin-4-yl)propanoic acid is O=C(O)CCc1ncnc2ccc(O)cc12.
What is the InChIKey of 3-(6-hydroxyquinazolin-4-yl)propanoic acid?
The InChIKey is JWEJJRAHPCSJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-7-1-2-9-8(5-7)10(13-6-12-9)3-4-11(15)16/h1-2,5-6,14H,3-4H2,(H,15,16).
What are the key properties of 3-(6-hydroxyquinazolin-4-yl)propanoic acid?
3-(6-hydroxyquinazolin-4-yl)propanoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyquinazolin-4-yl)propanoic acid is sourced from PubChem (CID 105471952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).