4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C18H19ClFNO4 — CID 146717195

IUPAC4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCOCCCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C18H19ClFNO4/c1-24-6-2-3-7-25-18(23)13-10-21(11-4-5-11)16-9-14(19)15(20)8-12(16)17(13)22/h8-11H,2-7H2,1H3
InChIKeyREACXOAAUTXFPF-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.71
Rot. Bonds7

About 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 146717195) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID146717195
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCOCCCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C18H19ClFNO4/c1-24-6-2-3-7-25-18(23)13-10-21(11-4-5-11)16-9-14(19)15(20)8-12(16)17(13)22/h8-11H,2-7H2,1H3
InChIKeyREACXOAAUTXFPF-UHFFFAOYSA-N
XLogP3.71
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
CID 164817321
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 154631855
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 163613690
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 158247032
3-acetyl-1-cyclopropyl-6,7-difluoroquinolin-4-one
CID 59099816
7-chloro-1-cyclopropyl-6-fluoro-N-[1-[3-(3-fluoro-4-methylphenoxy)propyl]piperidin-4-yl]-4-oxoquinoline-3-carboxamide
CID 164967058
(2-chlorophenyl)methyl 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate
CID 46861147

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 146717195) is 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is COCCCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is REACXOAAUTXFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c1-24-6-2-3-7-25-18(23)13-10-21(11-4-5-11)16-9-14(19)15(20)8-12(16)17(13)22/h8-11H,2-7H2,1H3.
What are the key properties of 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 367.80 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 146717195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).