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

C12H15NO2 — CID 115024025

IUPAC1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)N2C
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10-9(8)6-7-11(12(14)15)13(10)2/h3-5,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyICSZJTLANBEDMR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.83
Rot. Bonds1

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

1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (PubChem CID 115024025) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
PubChem CID115024025
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)N2C
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-10-9(8)6-7-11(12(14)15)13(10)2/h3-5,11H,6-7H2,1-2H3,(H,14,15)
InChIKeyICSZJTLANBEDMR-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The IUPAC name of 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid (CID 115024025) is 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is Cc1cccc2c1CCC(C(=O)O)N2C.
What is the InChIKey of 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
The InChIKey is ICSZJTLANBEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-3-5-10-9(8)6-7-11(12(14)15)13(10)2/h3-5,11H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid?
1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,4-dihydro-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 115024025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).