methyl 6-methylidene-2-oxoquinoline-8-carboxylate

C12H9NO3 — CID 178190247

IUPACmethyl 6-methylidene-2-oxoquinoline-8-carboxylate
SMILESC=c1cc2c(c(C(=O)OC)c1)=NC(=O)C=C2
InChIInChI=1S/C12H9NO3/c1-7-5-8-3-4-10(14)13-11(8)9(6-7)12(15)16-2/h3-6H,1H2,2H3
InChIKeyLVDQLDFLEBHQOS-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.06
Rot. Bonds1

About methyl 6-methylidene-2-oxoquinoline-8-carboxylate

methyl 6-methylidene-2-oxoquinoline-8-carboxylate (PubChem CID 178190247) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 6-methylidene-2-oxoquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylidene-2-oxoquinoline-8-carboxylate
PubChem CID178190247
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Namemethyl 6-methylidene-2-oxoquinoline-8-carboxylate
SMILESC=c1cc2c(c(C(=O)OC)c1)=NC(=O)C=C2
InChIInChI=1S/C12H9NO3/c1-7-5-8-3-4-10(14)13-11(8)9(6-7)12(15)16-2/h3-6H,1H2,2H3
InChIKeyLVDQLDFLEBHQOS-UHFFFAOYSA-N
XLogP0.06
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-8H-3,1-benzoxazine-2,4-dione
CID 71302988
Methyl 2-oxobenzimidazole-4-carboxylate
CID 53852123
methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
CID 142143458
Methyl 3-propyl-2,3-dihydroquinoline-8-carboxylate
CID 170194999
Ethyl 2-oxobenzimidazole-4-carboxylate
CID 174661181
Methyl 6-iminocyclohexa-1,3-diene-1-carboxylate
CID 70547434
6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303010
6-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303786
methyl 2-oxo-4aH-quinoline-4-carboxylate
CID 72207841
methyl 3-methyl-2-oxo-4aH-quinoline-7-carboxylate
CID 74017935
methyl 3-oxo-8aH-isoquinoline-8-carboxylate
CID 74325916

Frequently Asked Questions

What is the IUPAC name of methyl 6-methylidene-2-oxoquinoline-8-carboxylate?
The IUPAC name of methyl 6-methylidene-2-oxoquinoline-8-carboxylate (CID 178190247) is methyl 6-methylidene-2-oxoquinoline-8-carboxylate.
What is the SMILES notation for methyl 6-methylidene-2-oxoquinoline-8-carboxylate?
The canonical SMILES for methyl 6-methylidene-2-oxoquinoline-8-carboxylate is C=c1cc2c(c(C(=O)OC)c1)=NC(=O)C=C2.
What is the InChIKey of methyl 6-methylidene-2-oxoquinoline-8-carboxylate?
The InChIKey is LVDQLDFLEBHQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-7-5-8-3-4-10(14)13-11(8)9(6-7)12(15)16-2/h3-6H,1H2,2H3.
What are the key properties of methyl 6-methylidene-2-oxoquinoline-8-carboxylate?
methyl 6-methylidene-2-oxoquinoline-8-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylidene-2-oxoquinoline-8-carboxylate is sourced from PubChem (CID 178190247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).