3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid

C12H15NO2 — CID 162420121

IUPAC3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1cccc2c1CC(C)(C(=O)O)CN2
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10-9(8)6-12(2,7-13-10)11(14)15/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyKSVXHBALXFYABN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.05
Rot. Bonds1

About 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid

3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid (PubChem CID 162420121) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid
PubChem CID162420121
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1cccc2c1CC(C)(C(=O)O)CN2
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10-9(8)6-12(2,7-13-10)11(14)15/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyKSVXHBALXFYABN-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid?
The IUPAC name of 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid (CID 162420121) is 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid is Cc1cccc2c1CC(C)(C(=O)O)CN2.
What is the InChIKey of 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid?
The InChIKey is KSVXHBALXFYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-3-5-10-9(8)6-12(2,7-13-10)11(14)15/h3-5,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid?
3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,4-dihydro-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 162420121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).