ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate

C20H21FN4O4 — CID 175895576

IUPACethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cnc(OCCN(C)C)cn2)c2ccc(F)cc2c1=O
InChIInChI=1S/C20H21FN4O4/c1-4-28-20(27)15-12-25(16-6-5-13(21)9-14(16)19(15)26)17-10-23-18(11-22-17)29-8-7-24(2)3/h5-6,9-12H,4,7-8H2,1-3H3
InChIKeyLAXPFYUFLXBYSH-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.04
Rot. Bonds7

About ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate

ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 175895576) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID175895576
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC Nameethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2cnc(OCCN(C)C)cn2)c2ccc(F)cc2c1=O
InChIInChI=1S/C20H21FN4O4/c1-4-28-20(27)15-12-25(16-6-5-13(21)9-14(16)19(15)26)17-10-23-18(11-22-17)29-8-7-24(2)3/h5-6,9-12H,4,7-8H2,1-3H3
InChIKeyLAXPFYUFLXBYSH-UHFFFAOYSA-N
XLogP2.04
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate
CID 156848080
ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
CID 70395461
ethyl 1-[(3-bromophenyl)methyl]-6-fluoro-4-oxoquinoline-3-carboxylate
CID 94674240
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
ethyl 1-(4-fluorophenyl)-6-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinoline-3-carboxylate;ethyl 1-(4-fluorophenyl)-6-[2-(2-methylpyrimidin-5-yl)ethynyl]-4-oxoquinoline-3-carboxylate;molecular hydrogen;phosphane;tritium monohydride
CID 159330472
ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 134181833
ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate
CID 11823896
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
ethyl 1-(4-fluorophenyl)-4-oxo-7-(2-trimethylsilylethynyl)quinoline-3-carboxylate
CID 10024380
ethyl 6-bromo-1-(2-methoxyethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
CID 87918822
ethyl 7-fluoro-1-[(3-fluorophenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 53418933

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate (CID 175895576) is ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(-c2cnc(OCCN(C)C)cn2)c2ccc(F)cc2c1=O.
What is the InChIKey of ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is LAXPFYUFLXBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-4-28-20(27)15-12-25(16-6-5-13(21)9-14(16)19(15)26)17-10-23-18(11-22-17)29-8-7-24(2)3/h5-6,9-12H,4,7-8H2,1-3H3.
What are the key properties of ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate?
ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 400.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 175895576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).