methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate

C15H14F2N2O4 — CID 134814300

IUPACmethyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)c(N)c2c1=O
InChIInChI=1S/C15H14F2N2O4/c1-22-14-10(17)9(16)11(18)8-12(14)19(6-3-4-6)5-7(13(8)20)15(21)23-2/h5-6H,3-4,18H2,1-2H3
InChIKeyQZQYQZBHMKBTIX-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.99
Rot. Bonds3

About methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate

methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 134814300) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
PubChem CID134814300
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Namemethyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)c(N)c2c1=O
InChIInChI=1S/C15H14F2N2O4/c1-22-14-10(17)9(16)11(18)8-12(14)19(6-3-4-6)5-7(13(8)20)15(21)23-2/h5-6H,3-4,18H2,1-2H3
InChIKeyQZQYQZBHMKBTIX-UHFFFAOYSA-N
XLogP1.99
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate (CID 134814300) is methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate is COC(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)c(N)c2c1=O.
What is the InChIKey of methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is QZQYQZBHMKBTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c1-22-14-10(17)9(16)11(18)8-12(14)19(6-3-4-6)5-7(13(8)20)15(21)23-2/h5-6H,3-4,18H2,1-2H3.
What are the key properties of methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate?
methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 324.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 134814300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).