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

C23H22N2O6 — CID 24562418

IUPACmethyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(C2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)oc1C
InChIInChI=1S/C23H22N2O6/c1-13-16(23(27)30-4)12-20(31-13)21-24-17-8-6-5-7-15(17)22(26)25(21)18-10-9-14(28-2)11-19(18)29-3/h5-12,21,24H,1-4H3
InChIKeySRUDHUBHOIAVJG-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.16
Rot. Bonds5

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

methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate (PubChem CID 24562418) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
PubChem CID24562418
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Namemethyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(C2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)oc1C
InChIInChI=1S/C23H22N2O6/c1-13-16(23(27)30-4)12-20(31-13)21-24-17-8-6-5-7-15(17)22(26)25(21)18-10-9-14(28-2)11-19(18)29-3/h5-12,21,24H,1-4H3
InChIKeySRUDHUBHOIAVJG-UHFFFAOYSA-N
XLogP4.16
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate (CID 24562418) is methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(C2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)oc1C.
What is the InChIKey of methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
The InChIKey is SRUDHUBHOIAVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-13-16(23(27)30-4)12-20(31-13)21-24-17-8-6-5-7-15(17)22(26)25(21)18-10-9-14(28-2)11-19(18)29-3/h5-12,21,24H,1-4H3.
What are the key properties of methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate?
methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 24562418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).