4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid

C13H14N2O4 — CID 63263409

IUPAC4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
SMILESCCOCCOc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C13H14N2O4/c1-2-18-5-6-19-12-10-4-3-9(13(16)17)7-11(10)14-8-15-12/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyUKYRXWKVVGPESF-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.74
Rot. Bonds6

About 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid

4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid (PubChem CID 63263409) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
PubChem CID63263409
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
SMILESCCOCCOc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C13H14N2O4/c1-2-18-5-6-19-12-10-4-3-9(13(16)17)7-11(10)14-8-15-12/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyUKYRXWKVVGPESF-UHFFFAOYSA-N
XLogP1.74
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
CID 63684344
4-heptoxyquinazoline-7-carboxylic acid
CID 63461088
4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
CID 106200364
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
CID 81055547
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
CID 106200426
4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
CID 63263288
4-(propylamino)quinazoline-7-carboxylic acid
CID 2061674
1-ethoxyisoquinoline-6-carboxylic acid
CID 82569742
4-(4-methoxybutylamino)quinazoline-7-carboxylic acid
CID 63263517
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
3-(2-ethoxyethoxy)pyrazine-2-carboxylic acid
CID 62701891

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid (CID 63263409) is 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid is CCOCCOc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid?
The InChIKey is UKYRXWKVVGPESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-18-5-6-19-12-10-4-3-9(13(16)17)7-11(10)14-8-15-12/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid?
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).