2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one

C26H26N4O — CID 20790898

IUPAC2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(NC3CCCCC3)cncc12
InChIInChI=1S/C26H26N4O/c31-24-16-25(29-20-12-6-2-7-13-20)30(21-14-8-3-9-15-21)26-22(24)17-27-18-23(26)28-19-10-4-1-5-11-19/h2-3,6-9,12-19,28-29H,1,4-5,10-11H2
InChIKeyOYXUJKWIVXFXBI-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.87
Rot. Bonds5

About 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790898) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790898
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(NC3CCCCC3)cncc12
InChIInChI=1S/C26H26N4O/c31-24-16-25(29-20-12-6-2-7-13-20)30(21-14-8-3-9-15-21)26-22(24)17-27-18-23(26)28-19-10-4-1-5-11-19/h2-3,6-9,12-19,28-29H,1,4-5,10-11H2
InChIKeyOYXUJKWIVXFXBI-UHFFFAOYSA-N
XLogP5.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one (CID 20790898) is 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2c(NC3CCCCC3)cncc12.
What is the InChIKey of 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is OYXUJKWIVXFXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c31-24-16-25(29-20-12-6-2-7-13-20)30(21-14-8-3-9-15-21)26-22(24)17-27-18-23(26)28-19-10-4-1-5-11-19/h2-3,6-9,12-19,28-29H,1,4-5,10-11H2.
What are the key properties of 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 410.52 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(cyclohexylamino)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).