1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

C12H13NO3 — CID 117209640

IUPAC1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c1N(C)C(=O)CC2
InChIInChI=1S/C12H13NO3/c1-7-5-9(12(15)16)6-8-3-4-10(14)13(2)11(7)8/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyWSZVGOOPNQHYBL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.60
Rot. Bonds1

About 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 117209640) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID117209640
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c1N(C)C(=O)CC2
InChIInChI=1S/C12H13NO3/c1-7-5-9(12(15)16)6-8-3-4-10(14)13(2)11(7)8/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyWSZVGOOPNQHYBL-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (CID 117209640) is 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is Cc1cc(C(=O)O)cc2c1N(C)C(=O)CC2.
What is the InChIKey of 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is WSZVGOOPNQHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-5-9(12(15)16)6-8-3-4-10(14)13(2)11(7)8/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 117209640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).