boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

C14H14BF2NO7 — CID 66924300

IUPACboric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.OB(O)O
InChIInChI=1S/C14H11F2NO4.BH3O3/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20;2-1(3)4/h4-6H,2-3H2,1H3,(H,19,20);2-4H
InChIKeyMDPCYVCHRVCQFL-UHFFFAOYSA-N
MW357.07 g/mol
LogP0.27
Rot. Bonds3

About boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 66924300) has the molecular formula C14H14BF2NO7 and a molecular weight of 357.07 g/mol. Its IUPAC name is boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Nameboric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID66924300
Molecular FormulaC14H14BF2NO7
Molecular Weight357.07 g/mol
Exact Mass357.08
IUPAC Nameboric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.OB(O)O
InChIInChI=1S/C14H11F2NO4.BH3O3/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20;2-1(3)4/h4-6H,2-3H2,1H3,(H,19,20);2-4H
InChIKeyMDPCYVCHRVCQFL-UHFFFAOYSA-N
XLogP0.27
TPSA129.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.07
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbaldehyde
CID 89425117
1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-(1-carboxycyclohexyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 19072269
7-(4-carboxy-3,5-dimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151154897
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
CID 6918202
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771817
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
7-[(3S,4S)-4-amino-3-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69019025
1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 41129514

Frequently Asked Questions

What is the IUPAC name of boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 66924300) is boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.OB(O)O.
What is the InChIKey of boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MDPCYVCHRVCQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4.BH3O3/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20;2-1(3)4/h4-6H,2-3H2,1H3,(H,19,20);2-4H.
What are the key properties of boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 357.07 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 66924300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).