3-quinazolin-4-ylsulfanylpropanoic acid

C11H10N2O2S — CID 723893

IUPAC3-quinazolin-4-ylsulfanylpropanoic acid
SMILESO=C(O)CCSc1ncnc2ccccc12
InChIInChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15)
InChIKeyWQTFNWOAHQIRIR-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.20
Rot. Bonds4

About 3-quinazolin-4-ylsulfanylpropanoic acid

3-quinazolin-4-ylsulfanylpropanoic acid (PubChem CID 723893) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-quinazolin-4-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name3-quinazolin-4-ylsulfanylpropanoic acid
PubChem CID723893
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name3-quinazolin-4-ylsulfanylpropanoic acid
SMILESO=C(O)CCSc1ncnc2ccccc12
InChIInChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15)
InChIKeyWQTFNWOAHQIRIR-UHFFFAOYSA-N
XLogP2.20
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methoxyquinazolin-4-yl)sulfanylpropanoic acid
CID 21003198
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
4-(quinazolin-4-ylsulfanylmethyl)benzoic acid
CID 60625185
2-amino-2-ethyl-5-quinazolin-4-ylsulfanylpentanoic acid
CID 106807429
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
CID 63919256
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063

Frequently Asked Questions

What is the IUPAC name of 3-quinazolin-4-ylsulfanylpropanoic acid?
The IUPAC name of 3-quinazolin-4-ylsulfanylpropanoic acid (CID 723893) is 3-quinazolin-4-ylsulfanylpropanoic acid.
What is the SMILES notation for 3-quinazolin-4-ylsulfanylpropanoic acid?
The canonical SMILES for 3-quinazolin-4-ylsulfanylpropanoic acid is O=C(O)CCSc1ncnc2ccccc12.
What is the InChIKey of 3-quinazolin-4-ylsulfanylpropanoic acid?
The InChIKey is WQTFNWOAHQIRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-10(15)5-6-16-11-8-3-1-2-4-9(8)12-7-13-11/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 3-quinazolin-4-ylsulfanylpropanoic acid?
3-quinazolin-4-ylsulfanylpropanoic acid has a molecular weight of 234.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinazolin-4-ylsulfanylpropanoic acid is sourced from PubChem (CID 723893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).