2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C21H24FNO5 — CID 163613690

IUPAC2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCOCCOC(=O)c1cn(C2CC2)c2cc(OC3CCCC3)c(F)cc2c1=O
InChIInChI=1S/C21H24FNO5/c1-26-8-9-27-21(25)16-12-23(13-6-7-13)18-11-19(28-14-4-2-3-5-14)17(22)10-15(18)20(16)24/h10-14H,2-9H2,1H3
InChIKeyHIDGHSDMNPNQJR-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.60
Rot. Bonds7

About 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 163613690) has the molecular formula C21H24FNO5 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID163613690
Molecular FormulaC21H24FNO5
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCOCCOC(=O)c1cn(C2CC2)c2cc(OC3CCCC3)c(F)cc2c1=O
InChIInChI=1S/C21H24FNO5/c1-26-8-9-27-21(25)16-12-23(13-6-7-13)18-11-19(28-14-4-2-3-5-14)17(22)10-15(18)20(16)24/h10-14H,2-9H2,1H3
InChIKeyHIDGHSDMNPNQJR-UHFFFAOYSA-N
XLogP3.60
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.60
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

3-methoxypropyl 1-cyclopropyl-6-fluoro-7-methoxy-4-oxoquinoline-3-carboxylate
CID 164817321
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
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
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
3-acetyl-1-cyclopentyl-7-(cyclopropylmethylamino)-6-fluoroquinolin-4-one
CID 143677029
(3-acetyl-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl) trifluoromethanesulfonate
CID 20619484
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 163613690) is 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is COCCOC(=O)c1cn(C2CC2)c2cc(OC3CCCC3)c(F)cc2c1=O.
What is the InChIKey of 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is HIDGHSDMNPNQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO5/c1-26-8-9-27-21(25)16-12-23(13-6-7-13)18-11-19(28-14-4-2-3-5-14)17(22)10-15(18)20(16)24/h10-14H,2-9H2,1H3.
What are the key properties of 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 389.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 7-cyclopentyloxy-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 163613690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).