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

C11H13NO2 — CID 83753051

IUPAC7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)NCC(C(=O)O)C2
InChIInChI=1S/C11H13NO2/c1-7-2-3-8-5-9(11(13)14)6-12-10(8)4-7/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyZSGQBDAJXDEKGF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.66
Rot. Bonds1

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

7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (PubChem CID 83753051) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
PubChem CID83753051
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)NCC(C(=O)O)C2
InChIInChI=1S/C11H13NO2/c1-7-2-3-8-5-9(11(13)14)6-12-10(8)4-7/h2-4,9,12H,5-6H2,1H3,(H,13,14)
InChIKeyZSGQBDAJXDEKGF-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid
CID 129452228
6-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 54367728
(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid;hydrochloride
CID 44665977
ethyl (3R)-6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 99866901
ethyl 6-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 58241445
methyl 4-[(3R)-7-methyl-1,2,3,4-tetrahydroquinolin-3-yl]butanoate
CID 129452531
7-hydroxy-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 105445994
N,N-diethyl-7-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105473278
7-[2-(2-chloro-6-fluorophenyl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 174826354
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CID 83753051) is 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is Cc1ccc2c(c1)NCC(C(=O)O)C2.
What is the InChIKey of 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is ZSGQBDAJXDEKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-2-3-8-5-9(11(13)14)6-12-10(8)4-7/h2-4,9,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid?
7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 83753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).