ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate

C14H19NO3 — CID 166139289

IUPACethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)C1Nc2ccc(OC)cc2C[C@H]1C
InChIInChI=1S/C14H19NO3/c1-4-18-14(16)13-9(2)7-10-8-11(17-3)5-6-12(10)15-13/h5-6,8-9,13,15H,4,7H2,1-3H3/t9-,13?/m1/s1
InChIKeyMSZCESXIYCSUKG-CGCSKFHYSA-N
MW249.31 g/mol
LogP2.23
Rot. Bonds3

About ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate

ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate (PubChem CID 166139289) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
PubChem CID166139289
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)C1Nc2ccc(OC)cc2C[C@H]1C
InChIInChI=1S/C14H19NO3/c1-4-18-14(16)13-9(2)7-10-8-11(17-3)5-6-12(10)15-13/h5-6,8-9,13,15H,4,7H2,1-3H3/t9-,13?/m1/s1
InChIKeyMSZCESXIYCSUKG-CGCSKFHYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-6-methoxy-3-prop-2-enyl-1,2,3,4-tetrahydroquinoline-2-carboxylate;prop-2-yn-1-ol
CID 166139136
ethyl (2R,3S,4R)-6-methoxy-3-methyl-4-[(E)-prop-1-enyl]-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 102150650
ethyl 4-hydroxy-6-methoxy-3-pentyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 175824134
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 66821777
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187
5-methoxy-N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 70908053
2-(5-methoxy-2,3-dihydro-1H-indol-2-yl)acetaldehyde
CID 112710978
ethyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 142661958
ethyl 2-methoxy-5,6-dihydrophenanthridine-6-carboxylate
CID 132522989
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
ethyl (2S,3R)-3-pentyl-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 166139196

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The IUPAC name of ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate (CID 166139289) is ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate is CCOC(=O)C1Nc2ccc(OC)cc2C[C@H]1C.
What is the InChIKey of ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
The InChIKey is MSZCESXIYCSUKG-CGCSKFHYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-18-14(16)13-9(2)7-10-8-11(17-3)5-6-12(10)15-13/h5-6,8-9,13,15H,4,7H2,1-3H3/t9-,13?/m1/s1.
What are the key properties of ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate?
ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 166139289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).