ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate

C19H24FN3O4 — CID 70471245

IUPACethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate
SMILESCCOC(=O)Oc1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
InChIInChI=1S/C19H24FN3O4/c1-4-22-12-17(27-19(25)26-5-2)18(24)13-10-14(20)16(11-15(13)22)23-8-6-21(3)7-9-23/h10-12H,4-9H2,1-3H3
InChIKeyTWHZXMFDJQQOAA-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.45
Rot. Bonds4

About ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate

ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate (PubChem CID 70471245) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate.

Molecular Properties

Compound Nameethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate
PubChem CID70471245
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Nameethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate
SMILESCCOC(=O)Oc1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
InChIInChI=1S/C19H24FN3O4/c1-4-22-12-17(27-19(25)26-5-2)18(24)13-10-14(20)16(11-15(13)22)23-8-6-21(3)7-9-23/h10-12H,4-9H2,1-3H3
InChIKeyTWHZXMFDJQQOAA-UHFFFAOYSA-N
XLogP2.45
TPSA64.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-6-(18F)fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10892926
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrate
CID 19829982
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydron;methanesulfonate
CID 24883450
1-(carboxymethyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 139222533
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 166276301
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
1-ethyl-6-fluoro-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 12733930
ethyl (1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl) carbonate
CID 70471151
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-[(E)-3-oxo-3-phenylprop-1-enyl]quinolin-4-one
CID 163450120
1,1-dimethoxyethane;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 67896152
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4-one
CID 23210440
1-ethyl-6-fluoro-7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-4-oxoquinoline-3-carboxylic acid
CID 21289019

Frequently Asked Questions

What is the IUPAC name of ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate?
The IUPAC name of ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate (CID 70471245) is ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate.
What is the SMILES notation for ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate?
The canonical SMILES for ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate is CCOC(=O)Oc1cn(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-oxoquinolin-3-yl] carbonate?
The InChIKey is TWHZXMFDJQQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-4-22-12-17(27-19(25)26-5-2)18(24)13-10-14(20)16(11-15(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-oxoquinolin-3-yl] carbonate?
ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate has a molecular weight of 377.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate is sourced from PubChem (CID 70471245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).