methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate

C17H15N3O4S — CID 91962510

IUPACmethyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)CSc2ncnc3ccccc23)o1
InChIInChI=1S/C17H15N3O4S/c1-23-17(22)14-7-6-11(24-14)8-18-15(21)9-25-16-12-4-2-3-5-13(12)19-10-20-16/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyQCYHAHCWLCWJQN-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.42
Rot. Bonds6

About methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate (PubChem CID 91962510) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
PubChem CID91962510
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Namemethyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)CSc2ncnc3ccccc23)o1
InChIInChI=1S/C17H15N3O4S/c1-23-17(22)14-7-6-11(24-14)8-18-15(21)9-25-16-12-4-2-3-5-13(12)19-10-20-16/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIKeyQCYHAHCWLCWJQN-UHFFFAOYSA-N
XLogP2.42
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
methyl 2-[methyl-(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate
CID 46672415
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-quinazolin-4-ylsulfanylacetamide
CID 9325470
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
2-[ethyl-(2-quinazolin-4-ylsulfanylacetyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9323614
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
CID 43028222
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate (CID 91962510) is methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(=O)CSc2ncnc3ccccc23)o1.
What is the InChIKey of methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate?
The InChIKey is QCYHAHCWLCWJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-23-17(22)14-7-6-11(24-14)8-18-15(21)9-25-16-12-4-2-3-5-13(12)19-10-20-16/h2-7,10H,8-9H2,1H3,(H,18,21).
What are the key properties of methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 91962510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).