difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate

C14H10BF4NO3 — CID 59342464

IUPACdifluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate
SMILESCc1c(F)c(F)cc2c1c(=O)c(C(=O)OB(F)F)cn2C1CC1
InChIInChI=1S/C14H10BF4NO3/c1-6-11-10(4-9(16)12(6)17)20(7-2-3-7)5-8(13(11)21)14(22)23-15(18)19/h4-5,7H,2-3H2,1H3
InChIKeyGOQFZSGPQSYLNA-UHFFFAOYSA-N
MW327.04 g/mol
LogP3.00
Rot. Bonds3

About difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate

difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate (PubChem CID 59342464) has the molecular formula C14H10BF4NO3 and a molecular weight of 327.04 g/mol. Its IUPAC name is difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namedifluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate
PubChem CID59342464
Molecular FormulaC14H10BF4NO3
Molecular Weight327.04 g/mol
Exact Mass327.07
IUPAC Namedifluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate
SMILESCc1c(F)c(F)cc2c1c(=O)c(C(=O)OB(F)F)cn2C1CC1
InChIInChI=1S/C14H10BF4NO3/c1-6-11-10(4-9(16)12(6)17)20(7-2-3-7)5-8(13(11)21)14(22)23-15(18)19/h4-5,7H,2-3H2,1H3
InChIKeyGOQFZSGPQSYLNA-UHFFFAOYSA-N
XLogP3.00
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.04
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 15282972
5,6,7-trifluoro-1-(oxan-4-yl)-4-oxoquinoline-3-carboxylate
CID 86616056
1-cyclopropyl-6-fluoro-5-methyl-7-[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid
CID 139636868
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986
1-cyclopropyl-7-(3-ethenylpiperazin-1-yl)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 15382909
difluoroboranyl 5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3S)-3-[methyl-(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylate
CID 10506091
1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate;hydrochloride
CID 139032857
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
difluoroboranyl 5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylate
CID 10768331
1-cyclopropyl-7-[4-(dimethylamino)-3,3-dimethylpyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139636850
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139636874
difluoroboranyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 12993653

Frequently Asked Questions

What is the IUPAC name of difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate (CID 59342464) is difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate is Cc1c(F)c(F)cc2c1c(=O)c(C(=O)OB(F)F)cn2C1CC1.
What is the InChIKey of difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate?
The InChIKey is GOQFZSGPQSYLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BF4NO3/c1-6-11-10(4-9(16)12(6)17)20(7-2-3-7)5-8(13(11)21)14(22)23-15(18)19/h4-5,7H,2-3H2,1H3.
What are the key properties of difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate?
difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate has a molecular weight of 327.04 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoroboranyl 1-cyclopropyl-6,7-difluoro-5-methyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 59342464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).