6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid

C15H19NO3 — CID 151812922

IUPAC6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid
SMILESCOc1cccc2c1CC1CC(C(=O)O)CNC1C2
InChIInChI=1S/C15H19NO3/c1-19-14-4-2-3-9-7-13-10(6-12(9)14)5-11(8-16-13)15(17)18/h2-4,10-11,13,16H,5-8H2,1H3,(H,17,18)
InChIKeySAZLWKWMHUQCAP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.47
Rot. Bonds2

About 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid

6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid (PubChem CID 151812922) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid
PubChem CID151812922
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid
SMILESCOc1cccc2c1CC1CC(C(=O)O)CNC1C2
InChIInChI=1S/C15H19NO3/c1-19-14-4-2-3-9-7-13-10(6-12(9)14)5-11(8-16-13)15(17)18/h2-4,10-11,13,16H,5-8H2,1H3,(H,17,18)
InChIKeySAZLWKWMHUQCAP-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4aR,10aR)-6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 23656025
(3S,4aS,10aS)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-3-carboxylic acid
CID 70194908
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
(3aR,9aR)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole
CID 11030912
(3aS,9aR)-8-methoxy-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]indole
CID 54561720
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
[(10aR)-9-methoxy-3,4,4a,5,10,10a-hexahydro-2H-benzo[g][1,4]benzoxazin-2-yl]methanol;ethane
CID 143917280
3-[(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]cyclobutane-1-carboxylic acid
CID 166267662
5-(2-methoxy-6-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117421837
5-(2-methoxy-6-methylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 117482240

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid?
The IUPAC name of 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid (CID 151812922) is 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid?
The canonical SMILES for 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid is COc1cccc2c1CC1CC(C(=O)O)CNC1C2.
What is the InChIKey of 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid?
The InChIKey is SAZLWKWMHUQCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-14-4-2-3-9-7-13-10(6-12(9)14)5-11(8-16-13)15(17)18/h2-4,10-11,13,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid?
6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-3-carboxylic acid is sourced from PubChem (CID 151812922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).