N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine

C28H21F2N3O2 — CID 164609627

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine
SMILESCOc1cccc(OC)c1-c1ccc2c(Nc3ccnc(-c4cc(F)ccc4F)c3)ccnc2c1
InChIInChI=1S/C28H21F2N3O2/c1-34-26-4-3-5-27(35-2)28(26)17-6-8-20-23(11-13-32-24(20)14-17)33-19-10-12-31-25(16-19)21-15-18(29)7-9-22(21)30/h3-16H,1-2H3,(H,31,32,33)
InChIKeyVVLHMBWMVMBVRL-UHFFFAOYSA-N
MW469.49 g/mol
LogP7.00
Rot. Bonds6

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine (PubChem CID 164609627) has the molecular formula C28H21F2N3O2 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine
PubChem CID164609627
Molecular FormulaC28H21F2N3O2
Molecular Weight469.49 g/mol
Exact Mass469.16
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine
SMILESCOc1cccc(OC)c1-c1ccc2c(Nc3ccnc(-c4cc(F)ccc4F)c3)ccnc2c1
InChIInChI=1S/C28H21F2N3O2/c1-34-26-4-3-5-27(35-2)28(26)17-6-8-20-23(11-13-32-24(20)14-17)33-19-10-12-31-25(16-19)21-15-18(29)7-9-22(21)30/h3-16H,1-2H3,(H,31,32,33)
InChIKeyVVLHMBWMVMBVRL-UHFFFAOYSA-N
XLogP7.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-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 N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine (CID 164609627) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine is COc1cccc(OC)c1-c1ccc2c(Nc3ccnc(-c4cc(F)ccc4F)c3)ccnc2c1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine?
The InChIKey is VVLHMBWMVMBVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N3O2/c1-34-26-4-3-5-27(35-2)28(26)17-6-8-20-23(11-13-32-24(20)14-17)33-19-10-12-31-25(16-19)21-15-18(29)7-9-22(21)30/h3-16H,1-2H3,(H,31,32,33).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine has a molecular weight of 469.49 g/mol, XLogP of 7.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(2,6-dimethoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 164609627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).