N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide

C24H23ClF2N6O3 — CID 154623335

About N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide

N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide (PubChem CID 154623335) has the molecular formula C24H23ClF2N6O3 and a molecular weight of 516.94 g/mol. Its IUPAC name is N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide.

Molecular Properties

• Compound Name: N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide
• PubChem CID: 154623335
• Molecular Formula: C24H23ClF2N6O3
• Molecular Weight: 516.94 g/mol
• Exact Mass: 516.15
• IUPAC Name: N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide
• SMILES: Cc1cc(-c2ncnn2C)c2cccc(OCc3c(Cl)cncc3C(C)NC(=O)COC(F)F)c2n1
• InChI: InChI=1S/C24H23ClF2N6O3/c1-13-7-16(23-29-12-30-33(23)3)15-5-4-6-20(22(15)31-13)35-10-18-17(8-28-9-19(18)25)14(2)32-21(34)11-36-24(26)27/h4-9,12,14,24H,10-11H2,1-3H3,(H,32,34)
• InChIKey: VWJQJAQLZUOZDZ-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 104.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.94
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide?

The IUPAC name of N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide (CID 154623335) is N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide.

What is the SMILES notation for N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide?

The canonical SMILES for N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide is Cc1cc(-c2ncnn2C)c2cccc(OCc3c(Cl)cncc3C(C)NC(=O)COC(F)F)c2n1.

What is the InChIKey of N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide?

The InChIKey is VWJQJAQLZUOZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N6O3/c1-13-7-16(23-29-12-30-33(23)3)15-5-4-6-20(22(15)31-13)35-10-18-17(8-28-9-19(18)25)14(2)32-21(34)11-36-24(26)27/h4-9,12,14,24H,10-11H2,1-3H3,(H,32,34).

What are the key properties of N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide?

N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide has a molecular weight of 516.94 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-chloro-4-[[2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]ethyl]-2-(difluoromethoxy)acetamide is sourced from PubChem (CID 154623335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).