7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine

C13H15ClN4O — CID 173121058

IUPAC7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine
SMILESCOc1ccc2ncc(Cl)c(N3CCNCC3)c2n1
InChIInChI=1S/C13H15ClN4O/c1-19-11-3-2-10-12(17-11)13(9(14)8-16-10)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyJBIIOSYGFHZQHR-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.70
Rot. Bonds2

About 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine

7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine (PubChem CID 173121058) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine.

Molecular Properties

Compound Name7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine
PubChem CID173121058
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine
SMILESCOc1ccc2ncc(Cl)c(N3CCNCC3)c2n1
InChIInChI=1S/C13H15ClN4O/c1-19-11-3-2-10-12(17-11)13(9(14)8-16-10)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyJBIIOSYGFHZQHR-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine?
The IUPAC name of 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine (CID 173121058) is 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine.
What is the SMILES notation for 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine?
The canonical SMILES for 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine is COc1ccc2ncc(Cl)c(N3CCNCC3)c2n1.
What is the InChIKey of 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine?
The InChIKey is JBIIOSYGFHZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-19-11-3-2-10-12(17-11)13(9(14)8-16-10)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine?
7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine has a molecular weight of 278.74 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methoxy-8-piperazin-1-yl-1,5-naphthyridine is sourced from PubChem (CID 173121058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).