6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid

C15H19NO3 — CID 115008080

IUPAC6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCOc1ccc2c(c1)N(C)C1CCCC1C2C(=O)O
InChIInChI=1S/C15H19NO3/c1-16-12-5-3-4-10(12)14(15(17)18)11-7-6-9(19-2)8-13(11)16/h6-8,10,12,14H,3-5H2,1-2H3,(H,17,18)
InChIKeySWNDVVMOYYBSCY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.48
Rot. Bonds2

About 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid

6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 115008080) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID115008080
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESCOc1ccc2c(c1)N(C)C1CCCC1C2C(=O)O
InChIInChI=1S/C15H19NO3/c1-16-12-5-3-4-10(12)14(15(17)18)11-7-6-9(19-2)8-13(11)16/h6-8,10,12,14H,3-5H2,1-2H3,(H,17,18)
InChIKeySWNDVVMOYYBSCY-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid with MolForge

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Related Compounds

7-methoxy-10-methyl-2,3,4,4a,9,9a-hexahydro-1H-acridine-9-carboxylic acid
CID 115008178
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007928
6-methoxy-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 115008152
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007906
4-methoxy-2-(4-methylazepan-1-yl)benzoic acid
CID 81309603
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
1-cyclopropyl-5-methoxy-2-methyl-2,3-dihydroindole-3-carboxylic acid
CID 22397482
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-methoxybenzoic acid
CID 81300541
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
7-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 83764036
6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazine-3-carboxylic acid
CID 84629449

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid (CID 115008080) is 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid is COc1ccc2c(c1)N(C)C1CCCC1C2C(=O)O.
What is the InChIKey of 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is SWNDVVMOYYBSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-16-12-5-3-4-10(12)14(15(17)18)11-7-6-9(19-2)8-13(11)16/h6-8,10,12,14H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid?
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 115008080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).