7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one

C12H10F2N2O — CID 169153189

IUPAC7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one
SMILESCC1=NN2c3cc(F)c(F)cc3C(=O)CC2C1
InChIInChI=1S/C12H10F2N2O/c1-6-2-7-3-12(17)8-4-9(13)10(14)5-11(8)16(7)15-6/h4-5,7H,2-3H2,1H3
InChIKeyYFQRUGLZIYZMJH-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.51
Rot. Bonds

About 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one

7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one (PubChem CID 169153189) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one
PubChem CID169153189
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one
SMILESCC1=NN2c3cc(F)c(F)cc3C(=O)CC2C1
InChIInChI=1S/C12H10F2N2O/c1-6-2-7-3-12(17)8-4-9(13)10(14)5-11(8)16(7)15-6/h4-5,7H,2-3H2,1H3
InChIKeyYFQRUGLZIYZMJH-UHFFFAOYSA-N
XLogP2.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)methyl]cinnolin-4-one
CID 8169271
1-Methylcinnolin-4(1H)-one
CID 12361197
7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
CID 102581431
1-(Fluoromethyl) cinnolin-4(1h)-one
CID 176490138
1-Ethyl-6,7-difluoro-1,2,3,4-tetrahydro-4-oxo-quinoline
CID 10856761
1-Allyl-6,7-difluoro-1,2,3,4-tetrahydro-4-oxoquinoline
CID 22918243
1-Methyl-6,7-difluro-1,2,3,4-tetrahydro-4-oxoquinoline
CID 22918293
1-Chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 23057324
1-Ethyl-6,7-difluoro-4-oxocinnoline-3-carbonitrile
CID 23117754
1-[(2,4-Difluorophenyl)methyl]-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one
CID 25264957
1-[(2,4-Difluorophenyl)methyl]-3-(2-fluoro-3-methylphenyl)cinnolin-4-one
CID 44609148
1-[(2,4-Difluorophenyl)methyl]-3-(2-fluoro-4-methylphenyl)cinnolin-4-one
CID 44609627

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one?
The IUPAC name of 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one (CID 169153189) is 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one.
What is the SMILES notation for 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one?
The canonical SMILES for 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one is CC1=NN2c3cc(F)c(F)cc3C(=O)CC2C1.
What is the InChIKey of 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one?
The InChIKey is YFQRUGLZIYZMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-6-2-7-3-12(17)8-4-9(13)10(14)5-11(8)16(7)15-6/h4-5,7H,2-3H2,1H3.
What are the key properties of 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one?
7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one has a molecular weight of 236.22 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methyl-3a,4-dihydro-3H-pyrazolo[1,5-a]quinolin-5-one is sourced from PubChem (CID 169153189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).