4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid

C14H10N2O3S — CID 63263288

IUPAC4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCc3cccs3)ncnc2c1
InChIInChI=1S/C14H10N2O3S/c17-14(18)9-3-4-11-12(6-9)15-8-16-13(11)19-7-10-2-1-5-20-10/h1-6,8H,7H2,(H,17,18)
InChIKeyNYOIKEFQXNZTGM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.97
Rot. Bonds4

About 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid

4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid (PubChem CID 63263288) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
PubChem CID63263288
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(OCc3cccs3)ncnc2c1
InChIInChI=1S/C14H10N2O3S/c17-14(18)9-3-4-11-12(6-9)15-8-16-13(11)19-7-10-2-1-5-20-10/h1-6,8H,7H2,(H,17,18)
InChIKeyNYOIKEFQXNZTGM-UHFFFAOYSA-N
XLogP2.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
4-(2-cyclobutylethoxy)quinazoline-7-carboxylic acid
CID 106200426
4-heptoxyquinazoline-7-carboxylic acid
CID 63461088
4-nitro-3-(thiophen-2-ylmethoxy)benzoic acid
CID 62114686
4-(2-ethoxyethoxy)quinazoline-7-carboxylic acid
CID 63263409
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
CID 63073470
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727
5-amino-2-(thiophen-2-ylmethoxy)pyridine-3-carboxamide
CID 54966607
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
4-(2-methoxy-2-oxoethyl)sulfanylquinazoline-7-carboxylic acid
CID 63264184
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid (CID 63263288) is 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(OCc3cccs3)ncnc2c1.
What is the InChIKey of 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid?
The InChIKey is NYOIKEFQXNZTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-14(18)9-3-4-11-12(6-9)15-8-16-13(11)19-7-10-2-1-5-20-10/h1-6,8H,7H2,(H,17,18).
What are the key properties of 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid?
4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxy)quinazoline-7-carboxylic acid is sourced from PubChem (CID 63263288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).