8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile

C29H24N4O — CID 126517828

IUPAC8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile
SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C#N)cc2)C[C@@H](C)O1
InChIInChI=1S/C29H24N4O/c1-19-17-33(18-20(2)34-19)24-12-10-23(11-13-24)28-16-32-29-25(4-3-5-26(29)27(28)15-31)22-8-6-21(14-30)7-9-22/h3-13,16,19-20H,17-18H2,1-2H3/t19-,20?/m1/s1
InChIKeyGINCLYZMJAPBID-FIWHBWSRSA-N
MW444.54 g/mol
LogP5.93
Rot. Bonds3

About 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile

8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile (PubChem CID 126517828) has the molecular formula C29H24N4O and a molecular weight of 444.54 g/mol. Its IUPAC name is 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile
PubChem CID126517828
Molecular FormulaC29H24N4O
Molecular Weight444.54 g/mol
Exact Mass444.20
IUPAC Name8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile
SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C#N)cc2)C[C@@H](C)O1
InChIInChI=1S/C29H24N4O/c1-19-17-33(18-20(2)34-19)24-12-10-23(11-13-24)28-16-32-29-25(4-3-5-26(29)27(28)15-31)22-8-6-21(14-30)7-9-22/h3-13,16,19-20H,17-18H2,1-2H3/t19-,20?/m1/s1
InChIKeyGINCLYZMJAPBID-FIWHBWSRSA-N
XLogP5.93
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile 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 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile?
The IUPAC name of 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile (CID 126517828) is 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile.
What is the SMILES notation for 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile?
The canonical SMILES for 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile is CC1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C#N)cc2)C[C@@H](C)O1.
What is the InChIKey of 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile?
The InChIKey is GINCLYZMJAPBID-FIWHBWSRSA-N. The full InChI is InChI=1S/C29H24N4O/c1-19-17-33(18-20(2)34-19)24-12-10-23(11-13-24)28-16-32-29-25(4-3-5-26(29)27(28)15-31)22-8-6-21(14-30)7-9-22/h3-13,16,19-20H,17-18H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile?
8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile has a molecular weight of 444.54 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyanophenyl)-3-[4-[(2R)-2,6-dimethylmorpholin-4-yl]phenyl]quinoline-4-carbonitrile is sourced from PubChem (CID 126517828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).