methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate

C11H11NO3 — CID 135395002

IUPACmethyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCC(=O)C2
InChIInChI=1S/C11H11NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2,4H,3,5-6H2,1H3
InChIKeyDJICRTDFIQZSGG-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.93
Rot. Bonds1

About methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate

methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate (PubChem CID 135395002) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
PubChem CID135395002
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate
SMILESCOC(=O)c1ccc2c(n1)CCC(=O)C2
InChIInChI=1S/C11H11NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2,4H,3,5-6H2,1H3
InChIKeyDJICRTDFIQZSGG-UHFFFAOYSA-N
XLogP0.93
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate
CID 74890491
methyl 7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylate
CID 69398457
7-oxo-6,8-dihydro-5H-quinoline-2-carboxamide
CID 135394680
methyl (8R)-8-methyl-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 159476275
2-O-tert-butyl 6-O,7-O-dimethyl 9H-indeno[2,1-b]pyridine-2,6,7-tricarboxylate
CID 141154852
methyl 7-[2-(6-methoxycarbonyl-3-pyridinyl)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate
CID 166259990
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
2-methyl-7,8-dihydro-5H-quinazolin-6-one
CID 55254528
methyl 3-amino-[1,2]oxazolo[5,4-b]pyridine-6-carboxylate
CID 118867675
methyl 6-oxo-2,7-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,8-tetraene-3-carboxylate
CID 54613146
methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
The IUPAC name of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate (CID 135395002) is methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
The canonical SMILES for methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate is COC(=O)c1ccc2c(n1)CCC(=O)C2.
What is the InChIKey of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
The InChIKey is DJICRTDFIQZSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2,4H,3,5-6H2,1H3.
What are the key properties of methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate?
methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-7,8-dihydro-5H-quinoline-2-carboxylate is sourced from PubChem (CID 135395002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).