methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

C12H15NO3 — CID 59865138

IUPACmethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C12H15NO3/c1-13-10-6-4-3-5-8(10)7-9(11(13)14)12(15)16-2/h7H,3-6H2,1-2H3
InChIKeyIZBHXCQCRUAPFH-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.05
Rot. Bonds1

About methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 59865138) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID59865138
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)c1cc2c(n(C)c1=O)CCCC2
InChIInChI=1S/C12H15NO3/c1-13-10-6-4-3-5-8(10)7-9(11(13)14)12(15)16-2/h7H,3-6H2,1-2H3
InChIKeyIZBHXCQCRUAPFH-UHFFFAOYSA-N
XLogP1.05
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (CID 59865138) is methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate is COC(=O)c1cc2c(n(C)c1=O)CCCC2.
What is the InChIKey of methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is IZBHXCQCRUAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-10-6-4-3-5-8(10)7-9(11(13)14)12(15)16-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate?
methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 59865138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).