ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate

C13H16N2O2 — CID 57360911

IUPACethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=CNc2c(C)cccc2[C@H]1N
InChIInChI=1S/C13H16N2O2/c1-3-17-13(16)10-7-15-12-8(2)5-4-6-9(12)11(10)14/h4-7,11,15H,3,14H2,1-2H3/t11-/m1/s1
InChIKeyQSWGVINRGHSDMI-LLVKDONJSA-N
MW232.28 g/mol
LogP1.87
Rot. Bonds2

About ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate

ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate (PubChem CID 57360911) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate
PubChem CID57360911
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Nameethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate
SMILESCCOC(=O)C1=CNc2c(C)cccc2[C@H]1N
InChIInChI=1S/C13H16N2O2/c1-3-17-13(16)10-7-15-12-8(2)5-4-6-9(12)11(10)14/h4-7,11,15H,3,14H2,1-2H3/t11-/m1/s1
InChIKeyQSWGVINRGHSDMI-LLVKDONJSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate?
The IUPAC name of ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate (CID 57360911) is ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate?
The canonical SMILES for ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate is CCOC(=O)C1=CNc2c(C)cccc2[C@H]1N.
What is the InChIKey of ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate?
The InChIKey is QSWGVINRGHSDMI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-17-13(16)10-7-15-12-8(2)5-4-6-9(12)11(10)14/h4-7,11,15H,3,14H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate?
ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-amino-8-methyl-1,4-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 57360911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).