dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

C18H18N2O5 — CID 168633947

IUPACdimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2c(C)ccc3cccnc23)COC1
InChIInChI=1S/C18H18N2O5/c1-11-6-7-12-5-4-8-19-14(12)15(11)20-10-25-9-13(17(21)23-2)16(20)18(22)24-3/h4-8H,9-10H2,1-3H3
InChIKeyUYTUBBGYULYAPW-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.94
Rot. Bonds3

About dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (PubChem CID 168633947) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
PubChem CID168633947
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namedimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2c(C)ccc3cccnc23)COC1
InChIInChI=1S/C18H18N2O5/c1-11-6-7-12-5-4-8-19-14(12)15(11)20-10-25-9-13(17(21)23-2)16(20)18(22)24-3/h4-8H,9-10H2,1-3H3
InChIKeyUYTUBBGYULYAPW-UHFFFAOYSA-N
XLogP1.94
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 3-(2,6-dimethylquinolin-5-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633121
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
dimethyl 3-(2-bromo-4-chloro-6-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631760
dimethyl 3-(4-methoxycarbonyl-2-methylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600780
dimethyl 3-(3-acetamido-2,4,6-trimethylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168633977
2-[4,5-bis(methoxycarbonyl)-2,6-dihydro-1,3-oxazin-3-yl]-3-bromobenzoic acid
CID 168601343
dimethyl 3-[5-(hydroxymethyl)-2-methylphenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168631878
dimethyl 3-[2-(2-quinolin-2-ylethyl)phenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168632672
dimethyl 3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168636123
dimethyl 3-(4-hydroxyphenyl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168600765

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate (CID 168633947) is dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2c(C)ccc3cccnc23)COC1.
What is the InChIKey of dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
The InChIKey is UYTUBBGYULYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-6-7-12-5-4-8-19-14(12)15(11)20-10-25-9-13(17(21)23-2)16(20)18(22)24-3/h4-8H,9-10H2,1-3H3.
What are the key properties of dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate?
dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate has a molecular weight of 342.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(7-methylquinolin-8-yl)-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate is sourced from PubChem (CID 168633947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).