7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid

C15H14F2N2O3 — CID 155311225

IUPAC7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid
SMILESCc1nn2c(c1C(=O)O)CC(C)c1cc(OC(F)F)ccc1-2
InChIInChI=1S/C15H14F2N2O3/c1-7-5-12-13(14(20)21)8(2)18-19(12)11-4-3-9(6-10(7)11)22-15(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,20,21)
InChIKeyQRNQKJHQKFOQCI-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.14
Rot. Bonds3

About 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid

7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid (PubChem CID 155311225) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid
PubChem CID155311225
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid
SMILESCc1nn2c(c1C(=O)O)CC(C)c1cc(OC(F)F)ccc1-2
InChIInChI=1S/C15H14F2N2O3/c1-7-5-12-13(14(20)21)8(2)18-19(12)11-4-3-9(6-10(7)11)22-15(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,20,21)
InChIKeyQRNQKJHQKFOQCI-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid?
The IUPAC name of 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid (CID 155311225) is 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid?
The canonical SMILES for 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid is Cc1nn2c(c1C(=O)O)CC(C)c1cc(OC(F)F)ccc1-2.
What is the InChIKey of 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid?
The InChIKey is QRNQKJHQKFOQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-7-5-12-13(14(20)21)8(2)18-19(12)11-4-3-9(6-10(7)11)22-15(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,20,21).
What are the key properties of 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid?
7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid has a molecular weight of 308.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-2,5-dimethyl-4,5-dihydropyrazolo[1,5-a]quinoline-3-carboxylic acid is sourced from PubChem (CID 155311225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).