N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide

C29H25F3N4O2 — CID 89462995

About N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide

N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 89462995) has the molecular formula C29H25F3N4O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 89462995
• Molecular Formula: C29H25F3N4O2
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.19
• IUPAC Name: N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
• SMILES: CC(=C1CCC(NC(=O)c2cccnc2)CC1)c1cc(Oc2ccc(C(F)(F)F)cn2)cc2ncccc12
• InChI: InChI=1S/C29H25F3N4O2/c1-18(19-6-9-22(10-7-19)36-28(37)20-4-2-12-33-16-20)25-14-23(15-26-24(25)5-3-13-34-26)38-27-11-8-21(17-35-27)29(30,31)32/h2-5,8,11-17,22H,6-7,9-10H2,1H3,(H,36,37)/b19-18-
• InChIKey: VOHSEBCRWLBGMC-HNENSFHCSA-N
• XLogP: 6.98
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide (CID 89462995) is N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide is CC(=C1CCC(NC(=O)c2cccnc2)CC1)c1cc(Oc2ccc(C(F)(F)F)cn2)cc2ncccc12.

What is the InChIKey of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is VOHSEBCRWLBGMC-HNENSFHCSA-N. The full InChI is InChI=1S/C29H25F3N4O2/c1-18(19-6-9-22(10-7-19)36-28(37)20-4-2-12-33-16-20)25-14-23(15-26-24(25)5-3-13-34-26)38-27-11-8-21(17-35-27)29(30,31)32/h2-5,8,11-17,22H,6-7,9-10H2,1H3,(H,36,37)/b19-18-.

What are the key properties of N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide?

N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 89462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).