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

C14H10F2N2O3 — CID 169152811

IUPACmethyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate
SMILESCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)N=C(C)C2
InChIInChI=1S/C14H10F2N2O3/c1-6-3-11-12(14(20)21-2)13(19)7-4-8(15)9(16)5-10(7)18(11)17-6/h4-5H,3H2,1-2H3
InChIKeyYEODJDCGOLHXMD-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.85
Rot. Bonds1

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

methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate (PubChem CID 169152811) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate
PubChem CID169152811
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Namemethyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate
SMILESCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)N=C(C)C2
InChIInChI=1S/C14H10F2N2O3/c1-6-3-11-12(14(20)21-2)13(19)7-4-8(15)9(16)5-10(7)18(11)17-6/h4-5H,3H2,1-2H3
InChIKeyYEODJDCGOLHXMD-UHFFFAOYSA-N
XLogP1.85
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate with MolForge

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Related Compounds

Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 854165
Ethyl 6,7-difluoro-4-oxo-1-propylquinoline-3-carboxylate
CID 947969
Ethyl 1-(cyanomethyl)-6,7-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate
CID 822846
1-Methyl-4-oxo-1,4-dihydrocinnoline-3-carboxylic acid
CID 569031
Ethyl 6,7-difluoro-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 14423855
Methyl 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 11492850
ethyl 7,8-difluoro-2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinoline-4-carboxylate
CID 4409706
Ethyl 7,8-difluoro-5-oxo-1,2,3,5-tetrahydropyrrolo[1,2-a]quinoline-4-carboxylate
CID 643352
Ethyl 1-ethyl-5,7-difluoro-4-oxoquinoline-3-carboxylate
CID 21680617
3-Cinnolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
CID 5251559
Ethyl 6,7-difluoro-1-hydroxy-2-methyl-4-oxoquinoline-3-carboxylate
CID 10826811
Methyl 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 101542353

Frequently Asked Questions

What is the IUPAC name of methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate?
The IUPAC name of methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate (CID 169152811) is methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate.
What is the SMILES notation for methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate?
The canonical SMILES for methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate is COC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)N=C(C)C2.
What is the InChIKey of methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate?
The InChIKey is YEODJDCGOLHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-6-3-11-12(14(20)21-2)13(19)7-4-8(15)9(16)5-10(7)18(11)17-6/h4-5H,3H2,1-2H3.
What are the key properties of methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate?
methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate has a molecular weight of 292.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7,8-difluoro-2-methyl-5-oxo-3H-pyrazolo[1,5-a]quinoline-4-carboxylate is sourced from PubChem (CID 169152811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).