methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate

C16H18N2O3 — CID 3021583

IUPACmethyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
SMILESCOC(=O)c1nc(N2CCOCC2)c2ccccc2c1C
InChIInChI=1S/C16H18N2O3/c1-11-12-5-3-4-6-13(12)15(17-14(11)16(19)20-2)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3
InChIKeySKRPVZOIWOQWCE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds2

About methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate

methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate (PubChem CID 3021583) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
PubChem CID3021583
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
SMILESCOC(=O)c1nc(N2CCOCC2)c2ccccc2c1C
InChIInChI=1S/C16H18N2O3/c1-11-12-5-3-4-6-13(12)15(17-14(11)16(19)20-2)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3
InChIKeySKRPVZOIWOQWCE-UHFFFAOYSA-N
XLogP2.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate (CID 3021583) is methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate is COC(=O)c1nc(N2CCOCC2)c2ccccc2c1C.
What is the InChIKey of methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate?
The InChIKey is SKRPVZOIWOQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-12-5-3-4-6-13(12)15(17-14(11)16(19)20-2)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3.
What are the key properties of methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate?
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate is sourced from PubChem (CID 3021583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).