methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C12H15NO2 — CID 20871848

IUPACmethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1CCc2ccc(C)cc2C1
InChIInChI=1S/C12H15NO2/c1-9-3-4-10-5-6-13(12(14)15-2)8-11(10)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyOAYWPEOCIAEBOV-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.12
Rot. Bonds

About methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 20871848) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID20871848
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESCOC(=O)N1CCc2ccc(C)cc2C1
InChIInChI=1S/C12H15NO2/c1-9-3-4-10-5-6-13(12(14)15-2)8-11(10)7-9/h3-4,7H,5-6,8H2,1-2H3
InChIKeyOAYWPEOCIAEBOV-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 168897909
methyl 7-[(3-methylphenyl)carbamoylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034895
methyl 7-[[2-(4-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034796
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
methyl 7-[(2-methoxyacetyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034747
(2S)-2-amino-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 129229113
methyl 7-[[2-(3-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034795
methyl 7-[1-[[(E)-1-hydroxy-3-(4-methylphenyl)prop-2-enyl]amino]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 142190302
methyl 2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 82582376
methyl 7-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 22219595
methyl 7-[(3-chlorobenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034779
methyl 7-[(4-methoxycarbonylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121035000

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 20871848) is methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is COC(=O)N1CCc2ccc(C)cc2C1.
What is the InChIKey of methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is OAYWPEOCIAEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-3-4-10-5-6-13(12(14)15-2)8-11(10)7-9/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 20871848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).