methyl 3-methoxyisoquinoline-7-carboxylate

C12H11NO3 — CID 126676671

IUPACmethyl 3-methoxyisoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(OC)ncc2c1
InChIInChI=1S/C12H11NO3/c1-15-11-6-8-3-4-9(12(14)16-2)5-10(8)7-13-11/h3-7H,1-2H3
InChIKeyWMKICVSQFMZLOT-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.03
Rot. Bonds2

About methyl 3-methoxyisoquinoline-7-carboxylate

methyl 3-methoxyisoquinoline-7-carboxylate (PubChem CID 126676671) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-methoxyisoquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxyisoquinoline-7-carboxylate
PubChem CID126676671
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 3-methoxyisoquinoline-7-carboxylate
SMILESCOC(=O)c1ccc2cc(OC)ncc2c1
InChIInChI=1S/C12H11NO3/c1-15-11-6-8-3-4-9(12(14)16-2)5-10(8)7-13-11/h3-7H,1-2H3
InChIKeyWMKICVSQFMZLOT-UHFFFAOYSA-N
XLogP2.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
CID 58553628
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
methyl isoquinoline-6-carboxylate;sulfuric acid
CID 75485670
methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
CID 69360767
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxyisoquinoline-7-carboxylate?
The IUPAC name of methyl 3-methoxyisoquinoline-7-carboxylate (CID 126676671) is methyl 3-methoxyisoquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-methoxyisoquinoline-7-carboxylate?
The canonical SMILES for methyl 3-methoxyisoquinoline-7-carboxylate is COC(=O)c1ccc2cc(OC)ncc2c1.
What is the InChIKey of methyl 3-methoxyisoquinoline-7-carboxylate?
The InChIKey is WMKICVSQFMZLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-11-6-8-3-4-9(12(14)16-2)5-10(8)7-13-11/h3-7H,1-2H3.
What are the key properties of methyl 3-methoxyisoquinoline-7-carboxylate?
methyl 3-methoxyisoquinoline-7-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxyisoquinoline-7-carboxylate is sourced from PubChem (CID 126676671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).