2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one

C18H18N4O — CID 11255221

IUPAC2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(N3CCNCC3)ccc12
InChIInChI=1S/C18H18N4O/c23-16-12-15(13-4-2-1-3-5-13)20-18-14(16)6-7-17(21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23)
InChIKeyLFNPFSAOGFSWNR-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.00
Rot. Bonds2

About 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one

2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one (PubChem CID 11255221) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one
PubChem CID11255221
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2nc(N3CCNCC3)ccc12
InChIInChI=1S/C18H18N4O/c23-16-12-15(13-4-2-1-3-5-13)20-18-14(16)6-7-17(21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23)
InChIKeyLFNPFSAOGFSWNR-UHFFFAOYSA-N
XLogP2.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one (CID 11255221) is 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2nc(N3CCNCC3)ccc12.
What is the InChIKey of 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is LFNPFSAOGFSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-16-12-15(13-4-2-1-3-5-13)20-18-14(16)6-7-17(21-18)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23).
What are the key properties of 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one?
2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-piperazin-1-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 11255221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).