cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate

C21H24F2N2O5 — CID 67042838

IUPACcyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OCCC3COCCN3)c21
InChIInChI=1S/C21H24F2N2O5/c1-2-25-10-15(21(27)30-13-3-4-13)19(26)14-9-16(22)17(23)20(18(14)25)29-7-5-12-11-28-8-6-24-12/h9-10,12-13,24H,2-8,11H2,1H3
InChIKeyDBTDFMACOWIMKR-UHFFFAOYSA-N
MW422.43 g/mol
LogP2.38
Rot. Bonds7

About cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate

cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate (PubChem CID 67042838) has the molecular formula C21H24F2N2O5 and a molecular weight of 422.43 g/mol. Its IUPAC name is cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate
PubChem CID67042838
Molecular FormulaC21H24F2N2O5
Molecular Weight422.43 g/mol
Exact Mass422.17
IUPAC Namecyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate
SMILESCCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OCCC3COCCN3)c21
InChIInChI=1S/C21H24F2N2O5/c1-2-25-10-15(21(27)30-13-3-4-13)19(26)14-9-16(22)17(23)20(18(14)25)29-7-5-12-11-28-8-6-24-12/h9-10,12-13,24H,2-8,11H2,1H3
InChIKeyDBTDFMACOWIMKR-UHFFFAOYSA-N
XLogP2.38
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

cyclopropyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 68801881
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
difluoroboranyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 57131028
benzyl 1-ethyl-6,7-difluoro-8-[[(2S,4S)-4-hydroxy-4-(hydroxymethyl)pyrrolidin-2-yl]methoxy]-4-oxoquinoline-3-carboxylate;hydrochloride
CID 66733819
cyclopropyl 5-amino-1-ethyl-6,7-difluoro-4-oxo-8-propan-2-yloxyquinoline-3-carboxylate
CID 68821279
7-[3-(aminomethyl)morpholin-4-yl]-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 19834959
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
ethyl 6,7-difluoro-10-oxospiro[4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-2,3'-oxolane]-11-carboxylate
CID 58134861
ethyl 1-ethyl-6,8-difluoro-7-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-4-oxoquinoline-3-carboxylate
CID 102156251
1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3948
ethyl 1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 167438441
7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14328924

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate?
The IUPAC name of cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate (CID 67042838) is cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate is CCn1cc(C(=O)OC2CC2)c(=O)c2cc(F)c(F)c(OCCC3COCCN3)c21.
What is the InChIKey of cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate?
The InChIKey is DBTDFMACOWIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O5/c1-2-25-10-15(21(27)30-13-3-4-13)19(26)14-9-16(22)17(23)20(18(14)25)29-7-5-12-11-28-8-6-24-12/h9-10,12-13,24H,2-8,11H2,1H3.
What are the key properties of cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate?
cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate has a molecular weight of 422.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 1-ethyl-6,7-difluoro-8-(2-morpholin-3-ylethoxy)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 67042838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).