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

C14H14N2O3 — CID 106200364

IUPAC4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCCC3CC3)ncnc2c1
InChIInChI=1S/C14H14N2O3/c17-14(18)10-3-4-11-12(7-10)15-8-16-13(11)19-6-5-9-1-2-9/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyXLCGOKYRXSKNKI-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.51
Rot. Bonds5

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

4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid (PubChem CID 106200364) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
PubChem CID106200364
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCCC3CC3)ncnc2c1
InChIInChI=1S/C14H14N2O3/c17-14(18)10-3-4-11-12(7-10)15-8-16-13(11)19-6-5-9-1-2-9/h3-4,7-9H,1-2,5-6H2,(H,17,18)
InChIKeyXLCGOKYRXSKNKI-UHFFFAOYSA-N
XLogP2.51
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Quinazolin-4-yloxy)acetic acid
CID 3148347
Fenazaquin metabolite NN1
CID 45691520
2-Methyl-2-[4-(2-quinazolin-4-yloxyethyl)phenyl]propanoic acid
CID 139597870
CaMKK2-IN-1
CID 166128272
1-(2,5-Dimethylphenyl)-2-quinazolin-4-yloxyethanone
CID 2087443
4-(2-methyl-4-(((1S,2S)-2-(quinolin-2-yl)cyclopropyl)methoxy) pyrimidin-5-yl)benzoic acid (enantiomer A)
CID 74538681
4-(Quinazolin-4-yloxy)benzaldehyde
CID 4029268
4-(7-Ethoxy-6-fluoroquinazolin-4-yl)-2-propan-2-ylbenzoic acid
CID 172075069
4-Aminoquinazoline-7-carboxylic acid
CID 1414070
Quinazoline-7-carboxylic acid
CID 17852343
1-Quinazolin-4-yloxycyclobutane-1-carboxylic acid
CID 127042190
4-(7-Ethoxyquinazolin-4-yl)-2-propan-2-ylbenzoic acid
CID 172455146

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid (CID 106200364) is 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(OCCC3CC3)ncnc2c1.
What is the InChIKey of 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid?
The InChIKey is XLCGOKYRXSKNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(18)10-3-4-11-12(7-10)15-8-16-13(11)19-6-5-9-1-2-9/h3-4,7-9H,1-2,5-6H2,(H,17,18).
What are the key properties of 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid?
4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)quinazoline-7-carboxylic acid is sourced from PubChem (CID 106200364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).