ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate

C19H24FN3O3 — CID 1068705

IUPACethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
InChIInChI=1S/C19H24FN3O3/c1-4-22-12-14(19(25)26-5-2)18(24)13-10-15(20)17(11-16(13)22)23-8-6-21(3)7-9-23/h10-12H,4-9H2,1-3H3
InChIKeyFEGDMGCSHVIWNR-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.09
Rot. Bonds4

About ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate

ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate (PubChem CID 1068705) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
PubChem CID1068705
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Nameethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
InChIInChI=1S/C19H24FN3O3/c1-4-22-12-14(19(25)26-5-2)18(24)13-10-15(20)17(11-16(13)22)23-8-6-21(3)7-9-23/h10-12H,4-9H2,1-3H3
InChIKeyFEGDMGCSHVIWNR-UHFFFAOYSA-N
XLogP2.09
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate (CID 1068705) is ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate?
The InChIKey is FEGDMGCSHVIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-4-22-12-14(19(25)26-5-2)18(24)13-10-15(20)17(11-16(13)22)23-8-6-21(3)7-9-23/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 1068705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).