2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid

C14H19NO4 — CID 84639890

IUPAC2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid
SMILESCOc1cc2c(c(OC)c1)N(C)C(CC(=O)O)CC2
InChIInChI=1S/C14H19NO4/c1-15-10(7-13(16)17)5-4-9-6-11(18-2)8-12(19-3)14(9)15/h6,8,10H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyIUNCTJBUUUYCQY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds4

About 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid

2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid (PubChem CID 84639890) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid
PubChem CID84639890
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid
SMILESCOc1cc2c(c(OC)c1)N(C)C(CC(=O)O)CC2
InChIInChI=1S/C14H19NO4/c1-15-10(7-13(16)17)5-4-9-6-11(18-2)8-12(19-3)14(9)15/h6,8,10H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyIUNCTJBUUUYCQY-UHFFFAOYSA-N
XLogP1.93
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
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

6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84634264
5,7-dimethoxy-1-methyl-2,3-dihydroindole-2-carboxylic acid
CID 83870301
2-(6-methoxy-1,8-dimethyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylethanamine
CID 84633230
2-(5-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetic acid
CID 84634945
1-(5,7-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84633830
2-(6-methoxy-4-methyl-2,3-dihydro-1,4-benzothiazin-3-yl)acetic acid
CID 84634962
2-(5,7-dimethoxy-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 82496963
1-(6-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623666
2-[(2,4,6-trimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003795
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
CID 28774020

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid?
The IUPAC name of 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid (CID 84639890) is 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid?
The canonical SMILES for 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid is COc1cc2c(c(OC)c1)N(C)C(CC(=O)O)CC2.
What is the InChIKey of 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid?
The InChIKey is IUNCTJBUUUYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-10(7-13(16)17)5-4-9-6-11(18-2)8-12(19-3)14(9)15/h6,8,10H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid?
2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)acetic acid is sourced from PubChem (CID 84639890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).