4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid

C14H16N2O5 — CID 104560492

IUPAC4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
SMILESCOCCOCCOc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H16N2O5/c1-19-6-7-20-8-9-21-13-10-4-2-3-5-11(10)15-12(16-13)14(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyYQHKBPWVABGHNF-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.37
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid

4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid (PubChem CID 104560492) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
PubChem CID104560492
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
SMILESCOCCOCCOc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C14H16N2O5/c1-19-6-7-20-8-9-21-13-10-4-2-3-5-11(10)15-12(16-13)14(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyYQHKBPWVABGHNF-UHFFFAOYSA-N
XLogP1.37
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid (CID 104560492) is 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid is COCCOCCOc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid?
The InChIKey is YQHKBPWVABGHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-19-6-7-20-8-9-21-13-10-4-2-3-5-11(10)15-12(16-13)14(17)18/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid?
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid is sourced from PubChem (CID 104560492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).