6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C12H15NO3 — CID 84623821

IUPAC6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1cc(C)c2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C12H15NO3/c1-7-5-9(16-2)6-8-3-4-10(12(14)15)13-11(7)8/h5-6,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyJVLOBBLIIYHKFT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.81
Rot. Bonds2

About 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 84623821) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID84623821
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1cc(C)c2c(c1)CCC(C(=O)O)N2
InChIInChI=1S/C12H15NO3/c1-7-5-9(16-2)6-8-3-4-10(12(14)15)13-11(7)8/h5-6,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyJVLOBBLIIYHKFT-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 82396307
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83883117
6-methoxy-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid;hydrochloride
CID 139021106
(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130682288
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84634264
(2R)-8-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 96613428
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 84623821) is 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is COc1cc(C)c2c(c1)CCC(C(=O)O)N2.
What is the InChIKey of 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is JVLOBBLIIYHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7-5-9(16-2)6-8-3-4-10(12(14)15)13-11(7)8/h5-6,10,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 84623821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).