6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

C13H17NO4 — CID 84634264

IUPAC6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCOc1cc2c(c(OC)c1)N(C)C(C(=O)O)CC2
InChIInChI=1S/C13H17NO4/c1-14-10(13(15)16)5-4-8-6-9(17-2)7-11(18-3)12(8)14/h6-7,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyPRCHKOIHOFIOIS-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.54
Rot. Bonds3

About 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid

6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (PubChem CID 84634264) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
PubChem CID84634264
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCOc1cc2c(c(OC)c1)N(C)C(C(=O)O)CC2
InChIInChI=1S/C13H17NO4/c1-14-10(13(15)16)5-4-8-6-9(17-2)7-11(18-3)12(8)14/h6-7,10H,4-5H2,1-3H3,(H,15,16)
InChIKeyPRCHKOIHOFIOIS-UHFFFAOYSA-N
XLogP1.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethoxy-1-methyl-2,3-dihydroindole-2-carboxylic acid
CID 83870301
2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid
CID 84639890
8-chloro-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84624968
(1R)-6,8-dimethoxy-1,2-dimethyl-1,4-dihydroisoquinolin-3-one
CID 102347263
(2S,3S)-2-methyl-1-(2,4,6-trimethoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104930
1-ethyl-4,6-dimethoxy-2,3-dihydroindole-2-carboxylic acid
CID 150796439
methyl (2S,3R)-1-methyl-5-oxo-3-(2,4,6-trimethoxyphenyl)pyrrolidine-2-carboxylate
CID 67165242
6-methoxy-8-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84623821
(1S)-6,7-dimethoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
CID 44545129
6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84623301
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (CID 84634264) is 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is COc1cc2c(c(OC)c1)N(C)C(C(=O)O)CC2.
What is the InChIKey of 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The InChIKey is PRCHKOIHOFIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-10(13(15)16)5-4-8-6-9(17-2)7-11(18-3)12(8)14/h6-7,10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 84634264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).