5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

C11H13NO3 — CID 84675022

IUPAC5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2c1CCCN2
InChIInChI=1S/C11H13NO3/c1-15-10-7-3-2-6-12-9(7)5-4-8(10)11(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyRXPWZBKKWMQPKW-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.75
Rot. Bonds2

About 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid (PubChem CID 84675022) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
PubChem CID84675022
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2c1CCCN2
InChIInChI=1S/C11H13NO3/c1-15-10-7-3-2-6-12-9(7)5-4-8(10)11(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyRXPWZBKKWMQPKW-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
6-methoxy-1,2,3,4-tetrahydroquinolin-5-ol
CID 84656926
5-chloro-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667978
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
2,3-dimethoxy-4-methylbenzoic acid;morpholine
CID 174644053
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The IUPAC name of 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid (CID 84675022) is 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid.
What is the SMILES notation for 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The canonical SMILES for 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid is COc1c(C(=O)O)ccc2c1CCCN2.
What is the InChIKey of 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
The InChIKey is RXPWZBKKWMQPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-10-7-3-2-6-12-9(7)5-4-8(10)11(13)14/h4-5,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid?
5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid is sourced from PubChem (CID 84675022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).