6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C31H28N4O2 — CID 66888438

IUPAC6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3ccccc3Oc3ccccc3)nc(Nc3ccc(C4CCNCC4)cc3)c12
InChIInChI=1S/C31H28N4O2/c36-31-29-23(16-19-33-31)20-27(26-8-4-5-9-28(26)37-25-6-2-1-3-7-25)35-30(29)34-24-12-10-21(11-13-24)22-14-17-32-18-15-22/h1-13,16,19-20,22,32H,14-15,17-18H2,(H,33,36)(H,34,35)
InChIKeySFEVPOWDFFBPTE-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.59
Rot. Bonds6

About 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 66888438) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID66888438
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESO=c1[nH]ccc2cc(-c3ccccc3Oc3ccccc3)nc(Nc3ccc(C4CCNCC4)cc3)c12
InChIInChI=1S/C31H28N4O2/c36-31-29-23(16-19-33-31)20-27(26-8-4-5-9-28(26)37-25-6-2-1-3-7-25)35-30(29)34-24-12-10-21(11-13-24)22-14-17-32-18-15-22/h1-13,16,19-20,22,32H,14-15,17-18H2,(H,33,36)(H,34,35)
InChIKeySFEVPOWDFFBPTE-UHFFFAOYSA-N
XLogP6.59
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one 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-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 66888438) is 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(-c3ccccc3Oc3ccccc3)nc(Nc3ccc(C4CCNCC4)cc3)c12.
What is the InChIKey of 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is SFEVPOWDFFBPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c36-31-29-23(16-19-33-31)20-27(26-8-4-5-9-28(26)37-25-6-2-1-3-7-25)35-30(29)34-24-12-10-21(11-13-24)22-14-17-32-18-15-22/h1-13,16,19-20,22,32H,14-15,17-18H2,(H,33,36)(H,34,35).
What are the key properties of 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 488.59 g/mol, XLogP of 6.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).