methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate

C19H21NO2 — CID 164673470

IUPACmethyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccccc2)CNc2cc(C)ccc2C1
InChIInChI=1S/C19H21NO2/c1-14-8-9-16-12-19(18(21)22-2,13-20-17(16)10-14)11-15-6-4-3-5-7-15/h3-10,20H,11-13H2,1-2H3/t19-/m1/s1
InChIKeyMDJDTYRWVOKJPE-LJQANCHMSA-N
MW295.38 g/mol
LogP3.37
Rot. Bonds3

About methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate

methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate (PubChem CID 164673470) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
PubChem CID164673470
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccccc2)CNc2cc(C)ccc2C1
InChIInChI=1S/C19H21NO2/c1-14-8-9-16-12-19(18(21)22-2,13-20-17(16)10-14)11-15-6-4-3-5-7-15/h3-10,20H,11-13H2,1-2H3/t19-/m1/s1
InChIKeyMDJDTYRWVOKJPE-LJQANCHMSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate (CID 164673470) is methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate is COC(=O)[C@@]1(Cc2ccccc2)CNc2cc(C)ccc2C1.
What is the InChIKey of methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
The InChIKey is MDJDTYRWVOKJPE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-8-9-16-12-19(18(21)22-2,13-20-17(16)10-14)11-15-6-4-3-5-7-15/h3-10,20H,11-13H2,1-2H3/t19-/m1/s1.
What are the key properties of methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate?
methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-benzyl-7-methyl-2,4-dihydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 164673470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).