dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C23H21N3O6 — CID 168633062

IUPACdimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc3ncn(Cc4ccccc4)c(=O)c3c2)COC1
InChIInChI=1S/C23H21N3O6/c1-30-22(28)18-12-32-14-26(20(18)23(29)31-2)16-8-9-19-17(10-16)21(27)25(13-24-19)11-15-6-4-3-5-7-15/h3-10,13H,11-12,14H2,1-2H3
InChIKeyLJYOFDZASWCYAE-UHFFFAOYSA-N
MW435.44 g/mol
LogP1.84
Rot. Bonds5

About dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168633062) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168633062
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Namedimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2ccc3ncn(Cc4ccccc4)c(=O)c3c2)COC1
InChIInChI=1S/C23H21N3O6/c1-30-22(28)18-12-32-14-26(20(18)23(29)31-2)16-8-9-19-17(10-16)21(27)25(13-24-19)11-15-6-4-3-5-7-15/h3-10,13H,11-12,14H2,1-2H3
InChIKeyLJYOFDZASWCYAE-UHFFFAOYSA-N
XLogP1.84
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl 3-(4-phenylmethoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631565
dimethyl 3-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633228
dimethyl 3-[1-(3-methylphenyl)benzimidazol-5-yl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633285
dimethyl 3-(1-methyl-2-phenylbenzimidazol-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634761
dimethyl 3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634003
dimethyl 3-[3-(diethylcarbamoyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632662
dimethyl 3-(4-methyl-2-oxo-1H-quinolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634020
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
dimethyl 3-[4-(tetrazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168634459
dimethyl 3-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633701
[3-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]phenyl]boronic acid
CID 168631517
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168633062) is dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2ccc3ncn(Cc4ccccc4)c(=O)c3c2)COC1.
What is the InChIKey of dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is LJYOFDZASWCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-30-22(28)18-12-32-14-26(20(18)23(29)31-2)16-8-9-19-17(10-16)21(27)25(13-24-19)11-15-6-4-3-5-7-15/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 435.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(3-benzyl-4-oxoquinazolin-6-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168633062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).