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

C15H16N2O3 — CID 106200426

IUPAC4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCCC3CCC3)ncnc2c1
InChIInChI=1S/C15H16N2O3/c18-15(19)11-4-5-12-13(8-11)16-9-17-14(12)20-7-6-10-2-1-3-10/h4-5,8-10H,1-3,6-7H2,(H,18,19)
InChIKeyCBPRCKGIWOLLBD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.90
Rot. Bonds5

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

4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid (PubChem CID 106200426) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
PubChem CID106200426
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCCC3CCC3)ncnc2c1
InChIInChI=1S/C15H16N2O3/c18-15(19)11-4-5-12-13(8-11)16-9-17-14(12)20-7-6-10-2-1-3-10/h4-5,8-10H,1-3,6-7H2,(H,18,19)
InChIKeyCBPRCKGIWOLLBD-UHFFFAOYSA-N
XLogP2.90
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
CID 106200364
4-heptoxyquinazoline-7-carboxylic acid
CID 63461088
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
4-(2-propoxyethoxy)quinazoline-7-carboxylic acid
CID 63684344
4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
CID 63263288
2-(2-cyclobutylethoxy)quinoline-5-carboxylic acid
CID 106200392
3-bromo-4-(2-cyclobutylethoxy)benzoic acid
CID 106206434
3-(2-cyclobutylethoxy)pyridazine-4-carboxylic acid
CID 106206427
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
CID 114797984
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
4-(2-cyclobutylethoxy)quinoline-2-carboxylic acid
CID 106200390

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid (CID 106200426) is 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(OCCC3CCC3)ncnc2c1.
What is the InChIKey of 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid?
The InChIKey is CBPRCKGIWOLLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)11-4-5-12-13(8-11)16-9-17-14(12)20-7-6-10-2-1-3-10/h4-5,8-10H,1-3,6-7H2,(H,18,19).
What are the key properties of 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid?
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid is sourced from PubChem (CID 106200426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).