methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate

C17H15N3O4S — CID 17444323

IUPACmethyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C17H15N3O4S/c1-23-15(22)9-18-14(21)10-25-17-11-5-2-3-6-12(11)19-16(20-17)13-7-4-8-24-13/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyVTHYOQPWVVZWEG-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.27
Rot. Bonds6

About methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate

methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate (PubChem CID 17444323) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
PubChem CID17444323
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Namemethyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C17H15N3O4S/c1-23-15(22)9-18-14(21)10-25-17-11-5-2-3-6-12(11)19-16(20-17)13-7-4-8-24-13/h2-8H,9-10H2,1H3,(H,18,21)
InChIKeyVTHYOQPWVVZWEG-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46679288
N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679197
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
N-[[4-(dimethylamino)phenyl]methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 24585518
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 46687618
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24585507
methyl 2-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate
CID 9360664
3-[benzyl-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]propanamide
CID 55490415

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate (CID 17444323) is methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate is COC(=O)CNC(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate?
The InChIKey is VTHYOQPWVVZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-23-15(22)9-18-14(21)10-25-17-11-5-2-3-6-12(11)19-16(20-17)13-7-4-8-24-13/h2-8H,9-10H2,1H3,(H,18,21).
What are the key properties of methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate?
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate has a molecular weight of 357.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate is sourced from PubChem (CID 17444323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).