methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate

C12H15NO2 — CID 125044320

IUPACmethyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(C)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyXCPCJJNHYKJTCR-SNVBAGLBSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds1

About methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate

methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate (PubChem CID 125044320) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
PubChem CID125044320
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(C)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1
InChIKeyXCPCJJNHYKJTCR-SNVBAGLBSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903361
N-methoxy-N,1-dimethyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 102583329
methyl 1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 615024
methyl 1,4-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-5-carboxylate
CID 102258140
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 143284729
methyl 1-(4-cyano-1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 75391876
methyl (4R)-1-(4-cyano-1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxylate
CID 97057179
methyl (3S)-1-cyclopropylsulfonyl-2,3-dihydroindole-3-carboxylate
CID 99816652
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The IUPAC name of methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate (CID 125044320) is methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate.
What is the SMILES notation for methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The canonical SMILES for methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate is COC(=O)[C@@H]1CCN(C)c2ccccc21.
What is the InChIKey of methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
The InChIKey is XCPCJJNHYKJTCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13/h3-6,10H,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate?
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate is sourced from PubChem (CID 125044320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).