ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate

C19H24FN5O3 — CID 14783907

IUPACethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c2n(c3nc(N4CCN(C)CC4)c(F)cc3c1=O)CCN2C
InChIInChI=1S/C19H24FN5O3/c1-4-28-19(27)14-15(26)12-11-13(20)17(24-8-5-22(2)6-9-24)21-16(12)25-10-7-23(3)18(14)25/h11H,4-10H2,1-3H3
InChIKeyHRRJKVVOLXVMGH-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.91
Rot. Bonds3

About ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate

ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 14783907) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID14783907
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Nameethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c2n(c3nc(N4CCN(C)CC4)c(F)cc3c1=O)CCN2C
InChIInChI=1S/C19H24FN5O3/c1-4-28-19(27)14-15(26)12-11-13(20)17(24-8-5-22(2)6-9-24)21-16(12)25-10-7-23(3)18(14)25/h11H,4-10H2,1-3H3
InChIKeyHRRJKVVOLXVMGH-UHFFFAOYSA-N
XLogP0.91
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 14664850
ethyl 10-chloro-3-fluoro-5-oxo-2-pyrrolidin-1-yl-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
CID 59516622
3-fluoro-9-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydro-[1,3]oxazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid
CID 14783908
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
CID 163919531
CID 163919531
ethyl 15-chloro-5-fluoro-8-oxo-4-(4-propan-2-ylpiperazin-1-yl)-11-thia-1,3-diazatetracyclo[8.8.0.02,7.012,18]octadeca-2,4,6,9,12(18),13,15-heptaene-9-carboxylate
CID 143457599
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10431397
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 20519045
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate (CID 14783907) is ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1c2n(c3nc(N4CCN(C)CC4)c(F)cc3c1=O)CCN2C.
What is the InChIKey of ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is HRRJKVVOLXVMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-4-28-19(27)14-15(26)12-11-13(20)17(24-8-5-22(2)6-9-24)21-16(12)25-10-7-23(3)18(14)25/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate?
ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-7-methyl-2-(4-methylpiperazin-1-yl)-5-oxo-8,9-dihydroimidazo[1,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 14783907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).