5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine

C28H27N5O2 — CID 144929804

IUPAC5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine
SMILESC=C1CN(c2ccc(-c3cnc4c(-c5cnc(N(C)C)nc5)cccc4c3OC)cc2)CC(=C)O1
InChIInChI=1S/C28H27N5O2/c1-18-16-33(17-19(2)35-18)22-11-9-20(10-12-22)25-15-29-26-23(7-6-8-24(26)27(25)34-5)21-13-30-28(31-14-21)32(3)4/h6-15H,1-2,16-17H2,3-5H3
InChIKeyVZARCXRXKRBHHH-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.30
Rot. Bonds5

About 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine

5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 144929804) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID144929804
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine
SMILESC=C1CN(c2ccc(-c3cnc4c(-c5cnc(N(C)C)nc5)cccc4c3OC)cc2)CC(=C)O1
InChIInChI=1S/C28H27N5O2/c1-18-16-33(17-19(2)35-18)22-11-9-20(10-12-22)25-15-29-26-23(7-6-8-24(26)27(25)34-5)21-13-30-28(31-14-21)32(3)4/h6-15H,1-2,16-17H2,3-5H3
InChIKeyVZARCXRXKRBHHH-UHFFFAOYSA-N
XLogP5.30
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine 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 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine (CID 144929804) is 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine is C=C1CN(c2ccc(-c3cnc4c(-c5cnc(N(C)C)nc5)cccc4c3OC)cc2)CC(=C)O1.
What is the InChIKey of 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VZARCXRXKRBHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-18-16-33(17-19(2)35-18)22-11-9-20(10-12-22)25-15-29-26-23(7-6-8-24(26)27(25)34-5)21-13-30-28(31-14-21)32(3)4/h6-15H,1-2,16-17H2,3-5H3.
What are the key properties of 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine?
5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 465.56 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2,6-dimethylidenemorpholin-4-yl)phenyl]-4-methoxyquinolin-8-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 144929804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).