(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate

C15H17ClN4O4 — CID 70563744

IUPAC(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
SMILESCCn1cc(OC(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21
InChIInChI=1S/C15H17ClN4O4/c1-2-19-8-11(24-15(22)23)12(21)9-7-10(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
InChIKeyLMQCHLCAODGFJB-UHFFFAOYSA-N
MW352.78 g/mol
LogP1.54
Rot. Bonds3

About (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate

(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate (PubChem CID 70563744) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
PubChem CID70563744
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
SMILESCCn1cc(OC(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21
InChIInChI=1S/C15H17ClN4O4/c1-2-19-8-11(24-15(22)23)12(21)9-7-10(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)
InChIKeyLMQCHLCAODGFJB-UHFFFAOYSA-N
XLogP1.54
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate?
The IUPAC name of (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate (CID 70563744) is (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate.
What is the SMILES notation for (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate?
The canonical SMILES for (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate is CCn1cc(OC(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21.
What is the InChIKey of (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate?
The InChIKey is LMQCHLCAODGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c1-2-19-8-11(24-15(22)23)12(21)9-7-10(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23).
What are the key properties of (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate?
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate has a molecular weight of 352.78 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70563744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).