N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide

C29H27N5O3 — CID 126509856

IUPACN-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCOc1c(NC(=O)c2ccc(N3CC(C)OC(C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C29H27N5O3/c1-18-16-34(17-19(2)37-18)26-12-11-22(14-31-26)29(35)33-25-15-32-27-23(5-4-6-24(27)28(25)36-3)21-9-7-20(13-30)8-10-21/h4-12,14-15,18-19H,16-17H2,1-3H3,(H,33,35)
InChIKeyZOVACGAYXXPXSA-UHFFFAOYSA-N
MW493.57 g/mol
LogP5.04
Rot. Bonds5

About N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide

N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide (PubChem CID 126509856) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
PubChem CID126509856
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC NameN-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCOc1c(NC(=O)c2ccc(N3CC(C)OC(C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C29H27N5O3/c1-18-16-34(17-19(2)37-18)26-12-11-22(14-31-26)29(35)33-25-15-32-27-23(5-4-6-24(27)28(25)36-3)21-9-7-20(13-30)8-10-21/h4-12,14-15,18-19H,16-17H2,1-3H3,(H,33,35)
InChIKeyZOVACGAYXXPXSA-UHFFFAOYSA-N
XLogP5.04
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-[4-cyclopropyl-3-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile
CID 118407567
4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 139470867
4-[3-[6-[(3R)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518125
4-[3-[6-[(3R,5S)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518129
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-4-methoxyquinoline-3-carboxamide
CID 140791786
4-[3-[6-[3,5-dimethyl-4-(2-oxobutanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 144929684
4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407160
N-[2-amino-3-(4-cyanophenyl)phenyl]-6-(3,5-dimethyl-4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 144929941
4-[4-chloro-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-pyridinyl]quinolin-8-yl]benzonitrile
CID 118407328
4-[3-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-(methylamino)quinolin-8-yl]benzonitrile
CID 126518515
4-[3-[4-[2-(2-hydroxypropan-2-yl)-6-methylmorpholin-4-yl]phenyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518389
4-(4-cyclopropyl-3-methylquinolin-8-yl)benzonitrile;N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]formamide
CID 144929971

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide (CID 126509856) is N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide is COc1c(NC(=O)c2ccc(N3CC(C)OC(C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.
What is the InChIKey of N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
The InChIKey is ZOVACGAYXXPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c1-18-16-34(17-19(2)37-18)26-12-11-22(14-31-26)29(35)33-25-15-32-27-23(5-4-6-24(27)28(25)36-3)21-9-7-20(13-30)8-10-21/h4-12,14-15,18-19H,16-17H2,1-3H3,(H,33,35).
What are the key properties of N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide?
N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide has a molecular weight of 493.57 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126509856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).