2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid

C13H16N2O4 — CID 82009957

IUPAC2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid
SMILESCN1Cc2cc(CCOCC(=O)O)ccc2NC1=O
InChIInChI=1S/C13H16N2O4/c1-15-7-10-6-9(4-5-19-8-12(16)17)2-3-11(10)14-13(15)18/h2-3,6H,4-5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyVBZMXADFVNVUNZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.31
Rot. Bonds5

About 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid

2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid (PubChem CID 82009957) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid
PubChem CID82009957
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid
SMILESCN1Cc2cc(CCOCC(=O)O)ccc2NC1=O
InChIInChI=1S/C13H16N2O4/c1-15-7-10-6-9(4-5-19-8-12(16)17)2-3-11(10)14-13(15)18/h2-3,6H,4-5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyVBZMXADFVNVUNZ-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid (CID 82009957) is 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid is CN1Cc2cc(CCOCC(=O)O)ccc2NC1=O.
What is the InChIKey of 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid?
The InChIKey is VBZMXADFVNVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15-7-10-6-9(4-5-19-8-12(16)17)2-3-11(10)14-13(15)18/h2-3,6H,4-5,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid?
2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)ethoxy]acetic acid is sourced from PubChem (CID 82009957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).