3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate

C18H20FNO5 — CID 164817321

IUPAC3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
SMILESCOCCCOC(=O)c1cn(C2CC2)c2cc(OC)c(F)cc2c1=O
InChIInChI=1S/C18H20FNO5/c1-23-6-3-7-25-18(22)13-10-20(11-4-5-11)15-9-16(24-2)14(19)8-12(15)17(13)21/h8-11H,3-7H2,1-2H3
InChIKeyFWINBCSQIVELDC-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.68
Rot. Bonds7

About 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate

3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 164817321) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
PubChem CID164817321
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC Name3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
SMILESCOCCCOC(=O)c1cn(C2CC2)c2cc(OC)c(F)cc2c1=O
InChIInChI=1S/C18H20FNO5/c1-23-6-3-7-25-18(22)13-10-20(11-4-5-11)15-9-16(24-2)14(19)8-12(15)17(13)21/h8-11H,3-7H2,1-2H3
InChIKeyFWINBCSQIVELDC-UHFFFAOYSA-N
XLogP2.68
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 146717195
2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 163613690
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
1-cyclopropyl-7-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 175055513
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
(3-acetyl-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl) trifluoromethanesulfonate
CID 20619484
ethyl 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14515103
ethyl 7-(1-cyano-2-ethoxy-2-oxoethyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14422910
propyl 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate;2,2,2-trifluoroacetic acid
CID 71600446

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate (CID 164817321) is 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate is COCCCOC(=O)c1cn(C2CC2)c2cc(OC)c(F)cc2c1=O.
What is the InChIKey of 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is FWINBCSQIVELDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5/c1-23-6-3-7-25-18(22)13-10-20(11-4-5-11)15-9-16(24-2)14(19)8-12(15)17(13)21/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate?
3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 164817321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).