methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate

C19H20N2O4S — CID 2610943

IUPACmethyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
InChIInChI=1S/C19H20N2O4S/c1-12(2)10-21-17(22)14-6-4-5-7-15(14)20-19(21)26-11-13-8-9-16(25-13)18(23)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeySENSWESYERGKEI-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.72
Rot. Bonds6

About methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate

methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate (PubChem CID 2610943) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate
PubChem CID2610943
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Namemethyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
InChIInChI=1S/C19H20N2O4S/c1-12(2)10-21-17(22)14-6-4-5-7-15(14)20-19(21)26-11-13-8-9-16(25-13)18(23)24-3/h4-9,12H,10-11H2,1-3H3
InChIKeySENSWESYERGKEI-UHFFFAOYSA-N
XLogP3.72
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate (CID 2610943) is methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1.
What is the InChIKey of methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate?
The InChIKey is SENSWESYERGKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12(2)10-21-17(22)14-6-4-5-7-15(14)20-19(21)26-11-13-8-9-16(25-13)18(23)24-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate?
methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate has a molecular weight of 372.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 2610943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).