methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate

C12H15NO4 — CID 163489322

IUPACmethyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c([nH]1)CC(OC)CC2
InChIInChI=1S/C12H15NO4/c1-16-7-3-4-8-9(5-7)13-10(6-11(8)14)12(15)17-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyCLFIJFHISRVVGA-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.67
Rot. Bonds2

About methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate

methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate (PubChem CID 163489322) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
PubChem CID163489322
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2c([nH]1)CC(OC)CC2
InChIInChI=1S/C12H15NO4/c1-16-7-3-4-8-9(5-7)13-10(6-11(8)14)12(15)17-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyCLFIJFHISRVVGA-UHFFFAOYSA-N
XLogP0.67
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate
CID 15328648
Methyl 4-oxo-1,4,5,6,7,8-hexahydroquinoline-2-carboxylate
CID 58902805
Ethyl 4-hydroxy-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 70651925
8-methoxy-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798232
Methyl 4-oxo-1,4,5,6,7,8-hexahydroquinoline-2-carboxylate hydrochloride
CID 155973273

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate (CID 163489322) is methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2c([nH]1)CC(OC)CC2.
What is the InChIKey of methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The InChIKey is CLFIJFHISRVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-7-3-4-8-9(5-7)13-10(6-11(8)14)12(15)17-2/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 163489322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).