6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide

C26H28ClF3N6O3 — CID 58228139

About 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide

6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide (PubChem CID 58228139) has the molecular formula C26H28ClF3N6O3 and a molecular weight of 565.00 g/mol. Its IUPAC name is 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
• PubChem CID: 58228139
• Molecular Formula: C26H28ClF3N6O3
• Molecular Weight: 565.00 g/mol
• Exact Mass: 564.19
• IUPAC Name: 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
• SMILES: CC1CN(c2ccc3c(C(=O)NCC(c4cnc(C(F)(F)F)nc4)N4CCOCC4)c(Cl)ccc3n2)CCO1
• InChI: InChI=1S/C26H28ClF3N6O3/c1-16-15-36(8-11-39-16)22-5-2-18-20(34-22)4-3-19(27)23(18)24(37)31-14-21(35-6-9-38-10-7-35)17-12-32-25(33-13-17)26(28,29)30/h2-5,12-13,16,21H,6-11,14-15H2,1H3,(H,31,37)
• InChIKey: SCSFOIJSUQRAFO-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 92.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.00
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide?

The IUPAC name of 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide (CID 58228139) is 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide.

What is the SMILES notation for 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide?

The canonical SMILES for 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide is CC1CN(c2ccc3c(C(=O)NCC(c4cnc(C(F)(F)F)nc4)N4CCOCC4)c(Cl)ccc3n2)CCO1.

What is the InChIKey of 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide?

The InChIKey is SCSFOIJSUQRAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N6O3/c1-16-15-36(8-11-39-16)22-5-2-18-20(34-22)4-3-19(27)23(18)24(37)31-14-21(35-6-9-38-10-7-35)17-12-32-25(33-13-17)26(28,29)30/h2-5,12-13,16,21H,6-11,14-15H2,1H3,(H,31,37).

What are the key properties of 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide?

6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide has a molecular weight of 565.00 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(2-methylmorpholin-4-yl)-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide is sourced from PubChem (CID 58228139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).