ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

C13H17NO2 — CID 162434944

IUPACethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CNC[C@@H]2C
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)10-4-5-12-9(2)7-14-8-11(12)6-10/h4-6,9,14H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyMILDWHKEJVKQKE-VIFPVBQESA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds2

About ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate

ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate (PubChem CID 162434944) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
PubChem CID162434944
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nameethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CNC[C@@H]2C
InChIInChI=1S/C13H17NO2/c1-3-16-13(15)10-4-5-12-9(2)7-14-8-11(12)6-10/h4-6,9,14H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyMILDWHKEJVKQKE-VIFPVBQESA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-6-carboxylate;hydrochloride
CID 134691907
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
ethyl 1,2,2a,7b-tetrahydro-[1]benzofuro[3,2-b]azete-5-carboxylate
CID 122462245
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 3-[(3S,4R)-4-acetylpyrrolidin-3-yl]-4-methylbenzoate
CID 170733754
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
ethyl 1,2-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 141309209
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 6-(aminomethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386072
ethyl 1,4-dihydroquinoline-6-carboxylate
CID 143532502

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
The IUPAC name of ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate (CID 162434944) is ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate.
What is the SMILES notation for ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
The canonical SMILES for ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate is CCOC(=O)c1ccc2c(c1)CNC[C@@H]2C.
What is the InChIKey of ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
The InChIKey is MILDWHKEJVKQKE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-13(15)10-4-5-12-9(2)7-14-8-11(12)6-10/h4-6,9,14H,3,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate?
ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate is sourced from PubChem (CID 162434944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).