2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid

C12H10N2O4 — CID 141114843

IUPAC2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(CC(=O)O)ncnc2c1
InChIInChI=1S/C12H10N2O4/c15-11(16)4-7-1-2-8-9(3-7)13-6-14-10(8)5-12(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18)
InChIKeyIEEZDHYMZMLOHQ-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid

2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid (PubChem CID 141114843) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid
PubChem CID141114843
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(CC(=O)O)ncnc2c1
InChIInChI=1S/C12H10N2O4/c15-11(16)4-7-1-2-8-9(3-7)13-6-14-10(8)5-12(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18)
InChIKeyIEEZDHYMZMLOHQ-UHFFFAOYSA-N
XLogP0.88
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid?
The IUPAC name of 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid (CID 141114843) is 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid.
What is the SMILES notation for 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid?
The canonical SMILES for 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid is O=C(O)Cc1ccc2c(CC(=O)O)ncnc2c1.
What is the InChIKey of 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid?
The InChIKey is IEEZDHYMZMLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-11(16)4-7-1-2-8-9(3-7)13-6-14-10(8)5-12(17)18/h1-3,6H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid?
2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid has a molecular weight of 246.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethyl)quinazolin-7-yl]acetic acid is sourced from PubChem (CID 141114843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).