methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate

C18H20N2O5 — CID 32610028

IUPACmethyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
SMILESCOCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C18H20N2O5/c1-11-13(18(22)24-3)10-15(25-11)16-19-14-7-5-4-6-12(14)17(21)20(16)8-9-23-2/h4-7,10,16,19H,8-9H2,1-3H3/t16-/m0/s1
InChIKeyHPUXLYOBVUHIDI-INIZCTEOSA-N
MW344.37 g/mol
LogP2.59
Rot. Bonds5

About methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate

methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate (PubChem CID 32610028) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
PubChem CID32610028
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
SMILESCOCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C18H20N2O5/c1-11-13(18(22)24-3)10-15(25-11)16-19-14-7-5-4-6-12(14)17(21)20(16)8-9-23-2/h4-7,10,16,19H,8-9H2,1-3H3/t16-/m0/s1
InChIKeyHPUXLYOBVUHIDI-INIZCTEOSA-N
XLogP2.59
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-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-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate (CID 32610028) is methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate is COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
The InChIKey is HPUXLYOBVUHIDI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-13(18(22)24-3)10-15(25-11)16-19-14-7-5-4-6-12(14)17(21)20(16)8-9-23-2/h4-7,10,16,19H,8-9H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2S)-3-(2-methoxyethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 32610028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).