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

C11H13NO2 — CID 56766062

IUPAC4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
SMILESCC1CCNc2c(C(=O)O)cccc21
InChIInChI=1S/C11H13NO2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyYPHSTQBSRIRNQJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.30
Rot. Bonds1

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

4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid (PubChem CID 56766062) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
PubChem CID56766062
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
SMILESCC1CCNc2c(C(=O)O)cccc21
InChIInChI=1S/C11H13NO2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKeyYPHSTQBSRIRNQJ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 125041401
3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169
4-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 119095098
(2S,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551920
(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551926
2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid
CID 176550245
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
8-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 82276220
5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole-4-carboxylic acid
CID 84694597
1-cyclopropyl-2,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 83840877
3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
CID 14988451
3-cyclopropyl-2-methoxybenzoic acid
CID 69106312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The IUPAC name of 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid (CID 56766062) is 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid.
What is the SMILES notation for 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The canonical SMILES for 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid is CC1CCNc2c(C(=O)O)cccc21.
What is the InChIKey of 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
The InChIKey is YPHSTQBSRIRNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid?
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid is sourced from PubChem (CID 56766062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).