4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

C29H29FN4O — CID 50939209

About 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine

4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (PubChem CID 50939209) has the molecular formula C29H29FN4O and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

Molecular Properties

• Compound Name: 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
• PubChem CID: 50939209
• Molecular Formula: C29H29FN4O
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.23
• IUPAC Name: 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
• SMILES: Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21
• InChI: InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3
• InChIKey: IGGNGGDYLDZKTR-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?

The IUPAC name of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine (CID 50939209) is 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine.

What is the SMILES notation for 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?

The canonical SMILES for 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21.

What is the InChIKey of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?

The InChIKey is IGGNGGDYLDZKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3.

What are the key properties of 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine?

4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine has a molecular weight of 468.58 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(7-fluoro-3-methyl-2-pyridin-3-ylquinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine is sourced from PubChem (CID 50939209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).