methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate

C12H10NO2+ — CID 142143458

IUPACmethyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
SMILESC=c1cc(C(=O)OC)c2c(n1)C=C[CH+]C=2
InChIInChI=1S/C12H10NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-7H,1H2,2H3/q+1
InChIKeyIROSUDOZWDHBLE-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.29
Rot. Bonds1

About methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate

methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate (PubChem CID 142143458) has the molecular formula C12H10NO2+ and a molecular weight of 200.22 g/mol. Its IUPAC name is methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
PubChem CID142143458
Molecular FormulaC12H10NO2+
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Namemethyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
SMILESC=c1cc(C(=O)OC)c2c(n1)C=C[CH+]C=2
InChIInChI=1S/C12H10NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-7H,1H2,2H3/q+1
InChIKeyIROSUDOZWDHBLE-UHFFFAOYSA-N
XLogP0.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2,7-dimethyl-3H-azepine-4,6-dicarboxylate
CID 85773260
2-Methyl-5,6-dihydro-3,1-benzoxazin-4-one
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methyl 7H-carbazole-3-carboxylate
CID 154021573
methyl 6H-benzo[a]carbazole-3-carboxylate
CID 154059029
methyl 5H-carbazole-3-carboxylate
CID 154067229
methyl (6Z)-6-ethylidene-5-iminocyclohexa-1,3-diene-1-carboxylate
CID 170120381
Tert-butyl 2,3-dihydroquinoline-5-carboxylate
CID 177735466
methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate
CID 11286971
2,3-Dihydrophenazine-1-carboxylate
CID 17782895
methyl 2-oxo-4aH-quinoline-4-carboxylate
CID 72207841
ethyl 2-oxo-4aH-quinoline-4-carboxylate
CID 76845382
propyl 2-oxo-4aH-quinoline-4-carboxylate
CID 78201725

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate?
The IUPAC name of methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate (CID 142143458) is methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate.
What is the SMILES notation for methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate?
The canonical SMILES for methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate is C=c1cc(C(=O)OC)c2c(n1)C=C[CH+]C=2.
What is the InChIKey of methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate?
The InChIKey is IROSUDOZWDHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO2/c1-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13-8/h3-7H,1H2,2H3/q+1.
What are the key properties of methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate?
methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate has a molecular weight of 200.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate is sourced from PubChem (CID 142143458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).