methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate

C13H14N2O2 — CID 84626017

IUPACmethyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
SMILESCNc1cc(C(=O)OC)nc2cc(C)ccc12
InChIInChI=1S/C13H14N2O2/c1-8-4-5-9-10(14-2)7-12(13(16)17-3)15-11(9)6-8/h4-7H,1-3H3,(H,14,15)
InChIKeyVYTKQMWCAGUQOZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.37
Rot. Bonds2

About methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate

methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate (PubChem CID 84626017) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
PubChem CID84626017
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
SMILESCNc1cc(C(=O)OC)nc2cc(C)ccc12
InChIInChI=1S/C13H14N2O2/c1-8-4-5-9-10(14-2)7-12(13(16)17-3)15-11(9)6-8/h4-7H,1-3H3,(H,14,15)
InChIKeyVYTKQMWCAGUQOZ-UHFFFAOYSA-N
XLogP2.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate?
The IUPAC name of methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate (CID 84626017) is methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate?
The canonical SMILES for methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate is CNc1cc(C(=O)OC)nc2cc(C)ccc12.
What is the InChIKey of methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate?
The InChIKey is VYTKQMWCAGUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-4-5-9-10(14-2)7-12(13(16)17-3)15-11(9)6-8/h4-7H,1-3H3,(H,14,15).
What are the key properties of methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate?
methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate is sourced from PubChem (CID 84626017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).