5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C33H31F2N5O2 — CID 50907388

About 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50907388) has the molecular formula C33H31F2N5O2 and a molecular weight of 567.64 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 50907388
• Molecular Formula: C33H31F2N5O2
• Molecular Weight: 567.64 g/mol
• Exact Mass: 567.24
• IUPAC Name: 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: COc1cc(C)c(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(C)c1
• InChI: InChI=1S/C33H31F2N5O2/c1-19-13-24(41-4)14-20(2)29(19)33-28(17-23(18-37-33)40-9-11-42-12-10-40)39-32-21(3)31(26-7-5-6-8-36-26)38-27-16-22(34)15-25(35)30(27)32/h5-8,13-18H,9-12H2,1-4H3,(H,38,39)
• InChIKey: RRMJIVXIWUWRGE-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.64
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The IUPAC name of 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50907388) is 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

What is the SMILES notation for 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The canonical SMILES for 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cc(C)c(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c(C)c1.

What is the InChIKey of 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The InChIKey is RRMJIVXIWUWRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N5O2/c1-19-13-24(41-4)14-20(2)29(19)33-28(17-23(18-37-33)40-9-11-42-12-10-40)39-32-21(3)31(26-7-5-6-8-36-26)38-27-16-22(34)15-25(35)30(27)32/h5-8,13-18H,9-12H2,1-4H3,(H,38,39).

What are the key properties of 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?

5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 567.64 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-N-[2-(4-methoxy-2,6-dimethylphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50907388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).