ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate

C18H24N4O3 — CID 12818612

IUPACethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C)CC2)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C18H24N4O3/c1-5-25-18(24)14-15(22-10-8-20(3)9-11-22)13-7-6-12(2)19-16(13)21(4)17(14)23/h6-7H,5,8-11H2,1-4H3
InChIKeyLOQUUZLPADRCNJ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.17
Rot. Bonds3

About ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 12818612) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID12818612
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C)CC2)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C18H24N4O3/c1-5-25-18(24)14-15(22-10-8-20(3)9-11-22)13-7-6-12(2)19-16(13)21(4)17(14)23/h6-7H,5,8-11H2,1-4H3
InChIKeyLOQUUZLPADRCNJ-UHFFFAOYSA-N
XLogP1.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate (CID 12818612) is ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCN(C)CC2)c2ccc(C)nc2n(C)c1=O.
What is the InChIKey of ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is LOQUUZLPADRCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-25-18(24)14-15(22-10-8-20(3)9-11-22)13-7-6-12(2)19-16(13)21(4)17(14)23/h6-7H,5,8-11H2,1-4H3.
What are the key properties of ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,7-dimethyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).