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

C19H20N2O5 — CID 168633121

IUPACdimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2c(C)ccc3nc(C)ccc23)COC1
InChIInChI=1S/C19H20N2O5/c1-11-5-8-15-13(7-6-12(2)20-15)16(11)21-10-26-9-14(18(22)24-3)17(21)19(23)25-4/h5-8H,9-10H2,1-4H3
InChIKeyBKEAZODSVFAMKN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.25
Rot. Bonds3

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

dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168633121) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168633121
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namedimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2c(C)ccc3nc(C)ccc23)COC1
InChIInChI=1S/C19H20N2O5/c1-11-5-8-15-13(7-6-12(2)20-15)16(11)21-10-26-9-14(18(22)24-3)17(21)19(23)25-4/h5-8H,9-10H2,1-4H3
InChIKeyBKEAZODSVFAMKN-UHFFFAOYSA-N
XLogP2.25
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633947
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-3,5-dimethylbenzoic acid
CID 168631759
dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
dimethyl 3-(2-fluoro-3-methyl-6-nitrophenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632831
dimethyl 3-(5-chloro-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600790
dimethyl 3-(4-methoxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 102280773
2-[4-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168634437
dimethyl 3-(2-bromo-4-chloro-6-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631760
dimethyl 3-[5-(hydroxymethyl)-2-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631878
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-3-bromobenzoic acid
CID 168601343
dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633977
dimethyl 3-[4-(3-methylpyrazol-1-yl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633099

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168633121) is dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2c(C)ccc3nc(C)ccc23)COC1.
What is the InChIKey of dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is BKEAZODSVFAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-11-5-8-15-13(7-6-12(2)20-15)16(11)21-10-26-9-14(18(22)24-3)17(21)19(23)25-4/h5-8H,9-10H2,1-4H3.
What are the key properties of dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168633121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).