4-ethoxyquinazoline-2-carboxylic acid

C11H10N2O3 — CID 63869088

IUPAC4-ethoxyquinazoline-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C11H10N2O3/c1-2-16-10-7-5-3-4-6-8(7)12-9(13-10)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyBOUQMPRLFPWFGL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.73
Rot. Bonds3

About 4-ethoxyquinazoline-2-carboxylic acid

4-ethoxyquinazoline-2-carboxylic acid (PubChem CID 63869088) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-ethoxyquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-ethoxyquinazoline-2-carboxylic acid
PubChem CID63869088
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name4-ethoxyquinazoline-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C11H10N2O3/c1-2-16-10-7-5-3-4-6-8(7)12-9(13-10)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyBOUQMPRLFPWFGL-UHFFFAOYSA-N
XLogP1.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
CID 63867559
4-(4,4,4-trifluorobutoxy)quinazoline-2-carboxylic acid
CID 82781639
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-cyclopentyloxyquinazoline-2-carboxylic acid
CID 55251807
4-ethoxy-2-(2-phenylethyl)quinazoline
CID 132571184
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632
ethyl 4-[2-[benzyl(ethyl)amino]-2-oxoethoxy]quinazoline-2-carboxylate
CID 95923363
4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid
CID 116792564
4-[1-methoxypropan-2-yl(methyl)amino]quinazoline-2-carboxylic acid
CID 63868824
4-ethoxyquinazoline
CID 589708
1,3-diethoxy-4-methylisoquinoline
CID 68982329

Frequently Asked Questions

What is the IUPAC name of 4-ethoxyquinazoline-2-carboxylic acid?
The IUPAC name of 4-ethoxyquinazoline-2-carboxylic acid (CID 63869088) is 4-ethoxyquinazoline-2-carboxylic acid.
What is the SMILES notation for 4-ethoxyquinazoline-2-carboxylic acid?
The canonical SMILES for 4-ethoxyquinazoline-2-carboxylic acid is CCOc1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-ethoxyquinazoline-2-carboxylic acid?
The InChIKey is BOUQMPRLFPWFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-16-10-7-5-3-4-6-8(7)12-9(13-10)11(14)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 4-ethoxyquinazoline-2-carboxylic acid?
4-ethoxyquinazoline-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxyquinazoline-2-carboxylic acid is sourced from PubChem (CID 63869088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).