methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate

C13H14N2O2 — CID 170744662

IUPACmethyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
SMILESCNc1nccc2c(C)cc(C(=O)OC)cc12
InChIInChI=1S/C13H14N2O2/c1-8-6-9(13(16)17-3)7-11-10(8)4-5-15-12(11)14-2/h4-7H,1-3H3,(H,14,15)
InChIKeySPLOCXUYTRNNOO-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.37
Rot. Bonds2

About methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate

methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate (PubChem CID 170744662) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
PubChem CID170744662
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
SMILESCNc1nccc2c(C)cc(C(=O)OC)cc12
InChIInChI=1S/C13H14N2O2/c1-8-6-9(13(16)17-3)7-11-10(8)4-5-15-12(11)14-2/h4-7H,1-3H3,(H,14,15)
InChIKeySPLOCXUYTRNNOO-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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Related Compounds

methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 71521814
methyl 7-methylphenanthridine-9-carboxylate
CID 46873131
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
methyl 1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxylate
CID 121367808
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 71721167
methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
CID 143363540
methyl 2-(methylamino)pyrimidine-5-carboxylate
CID 74890609
methyl 4-(4-methoxycarbonyl-2,6-dimethylphenyl)sulfanyl-3,5-dimethylbenzoate
CID 144994456
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
methyl 2,8-dimethyl-4-oxo-1H-quinoline-6-carboxylate
CID 67775530

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate?
The IUPAC name of methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate (CID 170744662) is methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate.
What is the SMILES notation for methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate?
The canonical SMILES for methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate is CNc1nccc2c(C)cc(C(=O)OC)cc12.
What is the InChIKey of methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate?
The InChIKey is SPLOCXUYTRNNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-9(13(16)17-3)7-11-10(8)4-5-15-12(11)14-2/h4-7H,1-3H3,(H,14,15).
What are the key properties of methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate?
methyl 5-methyl-1-(methylamino)isoquinoline-7-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 5-methyl-1-(methylamino)isoquinoline-7-carboxylate is sourced from PubChem (CID 170744662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).