2-quinazolin-4-ylsulfanylpentanoic acid

C13H14N2O2S — CID 83038001

IUPAC2-quinazolin-4-ylsulfanylpentanoic acid
SMILESCCCC(Sc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-2-5-11(13(16)17)18-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,17)
InChIKeyBRDROUPOBZUTJF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.98
Rot. Bonds5

About 2-quinazolin-4-ylsulfanylpentanoic acid

2-quinazolin-4-ylsulfanylpentanoic acid (PubChem CID 83038001) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanylpentanoic acid
PubChem CID83038001
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-quinazolin-4-ylsulfanylpentanoic acid
SMILESCCCC(Sc1ncnc2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-2-5-11(13(16)17)18-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,17)
InChIKeyBRDROUPOBZUTJF-UHFFFAOYSA-N
XLogP2.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-quinazolin-4-ylsulfanylhexanoate
CID 115608238
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
(2R)-2-(2-methylquinazolin-4-yl)sulfanylbutanoic acid
CID 7454509
2-(1-carboxybutylsulfanyl)benzoic acid
CID 71364453
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
2-pyrimidin-2-ylsulfanylpentanoic acid
CID 83038269
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
3-phenyl-3-quinazolin-4-ylsulfanylpropan-1-amine
CID 62778214
N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
CID 64633855
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835

Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanylpentanoic acid?
The IUPAC name of 2-quinazolin-4-ylsulfanylpentanoic acid (CID 83038001) is 2-quinazolin-4-ylsulfanylpentanoic acid.
What is the SMILES notation for 2-quinazolin-4-ylsulfanylpentanoic acid?
The canonical SMILES for 2-quinazolin-4-ylsulfanylpentanoic acid is CCCC(Sc1ncnc2ccccc12)C(=O)O.
What is the InChIKey of 2-quinazolin-4-ylsulfanylpentanoic acid?
The InChIKey is BRDROUPOBZUTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-5-11(13(16)17)18-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,16,17).
What are the key properties of 2-quinazolin-4-ylsulfanylpentanoic acid?
2-quinazolin-4-ylsulfanylpentanoic acid has a molecular weight of 262.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanylpentanoic acid is sourced from PubChem (CID 83038001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).