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

C15H21NO2 — CID 82585281

IUPACmethyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate
SMILESCOC(=O)C1CN(C)Cc2cc(C(C)C)ccc21
InChIInChI=1S/C15H21NO2/c1-10(2)11-5-6-13-12(7-11)8-16(3)9-14(13)15(17)18-4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyMXOZDMAOXZVLEV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds2

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

methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate (PubChem CID 82585281) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate
PubChem CID82585281
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate
SMILESCOC(=O)C1CN(C)Cc2cc(C(C)C)ccc21
InChIInChI=1S/C15H21NO2/c1-10(2)11-5-6-13-12(7-11)8-16(3)9-14(13)15(17)18-4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyMXOZDMAOXZVLEV-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate?
The IUPAC name of methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate (CID 82585281) is methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate?
The canonical SMILES for methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate is COC(=O)C1CN(C)Cc2cc(C(C)C)ccc21.
What is the InChIKey of methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate?
The InChIKey is MXOZDMAOXZVLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)11-5-6-13-12(7-11)8-16(3)9-14(13)15(17)18-4/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate?
methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carboxylate is sourced from PubChem (CID 82585281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).