2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C17H17ClFNO4 — CID 154631855

IUPAC2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C17H17ClFNO4/c1-2-23-5-6-24-17(22)12-9-20(10-3-4-10)15-8-13(18)14(19)7-11(15)16(12)21/h7-10H,2-6H2,1H3
InChIKeyATWQDUPTMXBLJV-UHFFFAOYSA-N
MW353.78 g/mol
LogP3.32
Rot. Bonds6

About 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 154631855) has the molecular formula C17H17ClFNO4 and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID154631855
Molecular FormulaC17H17ClFNO4
Molecular Weight353.78 g/mol
Exact Mass353.08
IUPAC Name2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
InChIInChI=1S/C17H17ClFNO4/c1-2-23-5-6-24-17(22)12-9-20(10-3-4-10)15-8-13(18)14(19)7-11(15)16(12)21/h7-10H,2-6H2,1H3
InChIKeyATWQDUPTMXBLJV-UHFFFAOYSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.32
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

4-methoxybutyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 146717195
propyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 155405950
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 163613690
3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
CID 164817321
ethyl 1-cyclopropyl-6-fluoro-7-[(E)-3-hydroxyprop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 10065267
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
ethyl 7-(1-cyano-2-ethoxy-2-oxoethyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14422910
ethyl 7-[4-(aminomethyl)phenyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 14515103
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 7-[2-(azidomethyl)cyclopropyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10044640

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 154631855) is 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is CCOCCOC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O.
What is the InChIKey of 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is ATWQDUPTMXBLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4/c1-2-23-5-6-24-17(22)12-9-20(10-3-4-10)15-8-13(18)14(19)7-11(15)16(12)21/h7-10H,2-6H2,1H3.
What are the key properties of 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 353.78 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 154631855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).