4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile

C28H26N4O2 — CID 126518157

IUPAC4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile
SMILESCc1cn(-c2ccc(N3CC(C)OC(C)C3)cc2)c(=O)c2ccnc(-c3ccc(C#N)cc3)c12
InChIInChI=1S/C28H26N4O2/c1-18-15-32(24-10-8-23(9-11-24)31-16-19(2)34-20(3)17-31)28(33)25-12-13-30-27(26(18)25)22-6-4-21(14-29)5-7-22/h4-13,15,19-20H,16-17H2,1-3H3
InChIKeyDCWPYVJZSUFTRU-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.85
Rot. Bonds3

About 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile

4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile (PubChem CID 126518157) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile
PubChem CID126518157
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile
SMILESCc1cn(-c2ccc(N3CC(C)OC(C)C3)cc2)c(=O)c2ccnc(-c3ccc(C#N)cc3)c12
InChIInChI=1S/C28H26N4O2/c1-18-15-32(24-10-8-23(9-11-24)31-16-19(2)34-20(3)17-31)28(33)25-12-13-30-27(26(18)25)22-6-4-21(14-29)5-7-22/h4-13,15,19-20H,16-17H2,1-3H3
InChIKeyDCWPYVJZSUFTRU-UHFFFAOYSA-N
XLogP4.85
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile?
The IUPAC name of 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile (CID 126518157) is 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile.
What is the SMILES notation for 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile?
The canonical SMILES for 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile is Cc1cn(-c2ccc(N3CC(C)OC(C)C3)cc2)c(=O)c2ccnc(-c3ccc(C#N)cc3)c12.
What is the InChIKey of 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile?
The InChIKey is DCWPYVJZSUFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-18-15-32(24-10-8-23(9-11-24)31-16-19(2)34-20(3)17-31)28(33)25-12-13-30-27(26(18)25)22-6-4-21(14-29)5-7-22/h4-13,15,19-20H,16-17H2,1-3H3.
What are the key properties of 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile?
4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile has a molecular weight of 450.54 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-8-methyl-5-oxo-2,6-naphthyridin-1-yl]benzonitrile is sourced from PubChem (CID 126518157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).