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

C14H11F2NO3 — CID 11492850

IUPACmethyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C14H11F2NO3/c1-20-14(19)9-6-17(7-2-3-7)12-5-11(16)10(15)4-8(12)13(9)18/h4-7H,2-3H2,1H3
InChIKeyWGZPDLDHADAWSC-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.40
Rot. Bonds2

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

methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate (PubChem CID 11492850) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
PubChem CID11492850
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Namemethyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESCOC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C14H11F2NO3/c1-20-14(19)9-6-17(7-2-3-7)12-5-11(16)10(15)4-8(12)13(9)18/h4-7H,2-3H2,1H3
InChIKeyWGZPDLDHADAWSC-UHFFFAOYSA-N
XLogP2.40
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate (CID 11492850) is methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate is COC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is WGZPDLDHADAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-20-14(19)9-6-17(7-2-3-7)12-5-11(16)10(15)4-8(12)13(9)18/h4-7H,2-3H2,1H3.
What are the key properties of methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 279.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 11492850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).