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

C34H34F2N6O2 — CID 91489758

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

5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 91489758) has the molecular formula C34H34F2N6O2 and a molecular weight of 596.68 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 91489758
• Molecular Formula: C34H34F2N6O2
• Molecular Weight: 596.68 g/mol
• Exact Mass: 596.27
• IUPAC Name: 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: COc1ccc(-c2ncc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1
• InChI: InChI=1S/C34H34F2N6O2/c1-20(2)13-25-19-42(11-12-44-25)24-16-29(34(39-18-24)22-8-9-30(43-4)38-17-22)41-33-21(3)32(27-7-5-6-10-37-27)40-28-15-23(35)14-26(36)31(28)33/h5-10,14-18,20,25H,11-13,19H2,1-4H3,(H,40,41)
• InChIKey: AOVAKURCRBNJEF-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 85.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.68
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 91489758) is 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

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

The canonical SMILES for 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccc(-c2ncc(N3CCOC(CC(C)C)C3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1.

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

The InChIKey is AOVAKURCRBNJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F2N6O2/c1-20(2)13-25-19-42(11-12-44-25)24-16-29(34(39-18-24)22-8-9-30(43-4)38-17-22)41-33-21(3)32(27-7-5-6-10-37-27)40-28-15-23(35)14-26(36)31(28)33/h5-10,14-18,20,25H,11-13,19H2,1-4H3,(H,40,41).

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

5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 596.68 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-[2-(2-methylpropyl)morpholin-4-yl]-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 91489758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).