methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate

C15H16N2O4S — CID 7527207

IUPACmethyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2nc(=O)[nH]c3c2CCCC3)o1
InChIInChI=1S/C15H16N2O4S/c1-20-14(18)12-7-6-9(21-12)8-22-13-10-4-2-3-5-11(10)16-15(19)17-13/h6-7H,2-5,8H2,1H3,(H,16,17,19)
InChIKeyVLMPELCBXOQARI-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.32
Rot. Bonds4

About methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate

methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 7527207) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID7527207
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2nc(=O)[nH]c3c2CCCC3)o1
InChIInChI=1S/C15H16N2O4S/c1-20-14(18)12-7-6-9(21-12)8-22-13-10-4-2-3-5-11(10)16-15(19)17-13/h6-7H,2-5,8H2,1H3,(H,16,17,19)
InChIKeyVLMPELCBXOQARI-UHFFFAOYSA-N
XLogP2.32
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate (CID 7527207) is methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2nc(=O)[nH]c3c2CCCC3)o1.
What is the InChIKey of methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is VLMPELCBXOQARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-14(18)12-7-6-9(21-12)8-22-13-10-4-2-3-5-11(10)16-15(19)17-13/h6-7H,2-5,8H2,1H3,(H,16,17,19).
What are the key properties of methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 7527207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).