7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C11H13NO3 — CID 84620843

IUPAC7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1ccc2c(c1)NC(C(=O)O)CC2
InChIInChI=1S/C11H13NO3/c1-15-8-4-2-7-3-5-9(11(13)14)12-10(7)6-8/h2,4,6,9,12H,3,5H2,1H3,(H,13,14)
InChIKeyJFYNGMWGBXZMAI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.51
Rot. Bonds2

About 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 84620843) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID84620843
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1ccc2c(c1)NC(C(=O)O)CC2
InChIInChI=1S/C11H13NO3/c1-15-8-4-2-7-3-5-9(11(13)14)12-10(7)6-8/h2,4,6,9,12H,3,5H2,1H3,(H,13,14)
InChIKeyJFYNGMWGBXZMAI-UHFFFAOYSA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84623821
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
7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridine-2-carboxylic acid
CID 67075939
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
(2R)-6-methoxy-N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 11358808
(2S)-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 97296326

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 84620843) is 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is COc1ccc2c(c1)NC(C(=O)O)CC2.
What is the InChIKey of 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is JFYNGMWGBXZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-8-4-2-7-3-5-9(11(13)14)12-10(7)6-8/h2,4,6,9,12H,3,5H2,1H3,(H,13,14).
What are the key properties of 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 84620843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).