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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Related Compounds

6-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-1-oxoisoquinolin-5-yl]pyridine-3-carbonitrile
CID 118407267
7-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(4-isocyanophenyl)-5-methyl-1,7-naphthyridin-8-one
CID 140791847
4-[2-[4-[4-(cyclopropylmethyl)-3,5-dimethylpiperazin-1-yl]phenyl]-4-methyl-1-oxoisoquinolin-5-yl]benzonitrile
CID 118407012
4-[2-[4-[3,5-dimethyl-4-(2,2,2-trifluoroethanehydrazonoyl)piperazin-1-yl]phenyl]-4-methyl-1-oxoisoquinolin-5-yl]benzonitrile
CID 172944915
8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile
CID 126517828
4-[2-[4-[4-(5,5-dimethyl-4-oxohexan-2-yl)-3,6-dimethylazepan-1-yl]phenyl]-4-methyl-1-oxoisoquinolin-5-yl]benzonitrile
CID 144929776
4-[3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-fluoro-4-methoxyquinolin-8-yl]benzonitrile
CID 118407483
4-[3-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(methylamino)quinolin-8-yl]benzonitrile
CID 126518515
4-[3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-oxo-1H-quinolin-8-yl]-2-methylbenzonitrile
CID 126518358
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
4-[(1Z)-1-[(3E)-5-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethylidene-4-methoxy-2-pyridinylidene]prop-2-enyl]benzonitrile
CID 139470873
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625

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).