7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde

C13H8F2N2O2 — CID 169153286

IUPAC7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCC1=Nn2c(c(C=O)c(=O)c3cc(F)c(F)cc32)C1
InChIInChI=1S/C13H8F2N2O2/c1-6-2-11-8(5-18)13(19)7-3-9(14)10(15)4-12(7)17(11)16-6/h3-5H,2H2,1H3
InChIKeyQRYAGLRASLWPPB-UHFFFAOYSA-N
MW262.21 g/mol
LogP1.87
Rot. Bonds1

About 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde

7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde (PubChem CID 169153286) has the molecular formula C13H8F2N2O2 and a molecular weight of 262.21 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde
PubChem CID169153286
Molecular FormulaC13H8F2N2O2
Molecular Weight262.21 g/mol
Exact Mass262.06
IUPAC Name7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCC1=Nn2c(c(C=O)c(=O)c3cc(F)c(F)cc32)C1
InChIInChI=1S/C13H8F2N2O2/c1-6-2-11-8(5-18)13(19)7-3-9(14)10(15)4-12(7)17(11)16-6/h3-5H,2H2,1H3
InChIKeyQRYAGLRASLWPPB-UHFFFAOYSA-N
XLogP1.87
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-6,7-difluoro-4-oxocinnoline-3-carbonitrile
CID 23117754
1-[(2,4-Difluorophenyl)methyl]-3-methylcinnolin-4-one
CID 143796366
6,7-Difluoro-4-oxo-1-propan-2-ylquinoline-3-carbaldehyde
CID 155737969
2-[7-Fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
CID 161321462
methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate
CID 169152811
6,7-Difluoro-1,3,8-trimethylcinnolin-4-one
CID 169152891
7,8-difluoro-1-methyl-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carbaldehyde
CID 169152928
7,8-difluoro-2-methyl-5-oxo-3a,4-dihydro-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde
CID 169153120
7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one
CID 169153189
1-Ethyl-6,7-difluoro-4-oxoquinoline-3-carbaldehyde
CID 172526299
4-Oxo-1-(2,4,6-trifluorophenyl)cinnoline-3-carboxamide
CID 174954795
6-fluoro-N,1-dimethyl-4-oxocinnoline-3-carboxamide
CID 52016733

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde?
The IUPAC name of 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde (CID 169153286) is 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde?
The canonical SMILES for 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde is CC1=Nn2c(c(C=O)c(=O)c3cc(F)c(F)cc32)C1.
What is the InChIKey of 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde?
The InChIKey is QRYAGLRASLWPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2/c1-6-2-11-8(5-18)13(19)7-3-9(14)10(15)4-12(7)17(11)16-6/h3-5H,2H2,1H3.
What are the key properties of 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde?
7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde has a molecular weight of 262.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 169153286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).