ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate

C18H24N4O3 — CID 70581183

IUPACethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc2c1c(N1CCN(C)CC1)cc(=O)n2CC
InChIInChI=1S/C18H24N4O3/c1-4-22-15(23)12-14(21-10-8-20(3)9-11-21)16-13(18(24)25-5-2)6-7-19-17(16)22/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyQUDDAKYUBDDXHJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.34
Rot. Bonds4

About ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate

ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate (PubChem CID 70581183) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate
PubChem CID70581183
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc2c1c(N1CCN(C)CC1)cc(=O)n2CC
InChIInChI=1S/C18H24N4O3/c1-4-22-15(23)12-14(21-10-8-20(3)9-11-21)16-13(18(24)25-5-2)6-7-19-17(16)22/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyQUDDAKYUBDDXHJ-UHFFFAOYSA-N
XLogP1.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate?
The IUPAC name of ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate (CID 70581183) is ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate.
What is the SMILES notation for ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate?
The canonical SMILES for ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate is CCOC(=O)c1ccnc2c1c(N1CCN(C)CC1)cc(=O)n2CC.
What is the InChIKey of ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate?
The InChIKey is QUDDAKYUBDDXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-22-15(23)12-14(21-10-8-20(3)9-11-21)16-13(18(24)25-5-2)6-7-19-17(16)22/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate?
ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate is sourced from PubChem (CID 70581183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).