butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

C34H29F2N3O6 — CID 67453557

About butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (PubChem CID 67453557) has the molecular formula C34H29F2N3O6 and a molecular weight of 613.62 g/mol. Its IUPAC name is butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
• PubChem CID: 67453557
• Molecular Formula: C34H29F2N3O6
• Molecular Weight: 613.62 g/mol
• Exact Mass: 613.20
• IUPAC Name: butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
• SMILES: O=C(Cc1ccc(F)cc1F)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CCC(=O)O
• InChI: InChI=1S/C30H23F2N3O2.C4H6O4/c31-24-9-7-23(28(32)17-24)16-30(36)35(19-21-4-3-15-33-18-21)26-11-13-27(14-12-26)37-20-25-10-8-22-5-1-2-6-29(22)34-25;5-3(6)1-2-4(7)8/h1-15,17-18H,16,19-20H2;1-2H2,(H,5,6)(H,7,8)
• InChIKey: HJAPHKOSHSDDII-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 129.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.62
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

The IUPAC name of butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (CID 67453557) is butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.

What is the SMILES notation for butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

The canonical SMILES for butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is O=C(Cc1ccc(F)cc1F)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)CCC(=O)O.

What is the InChIKey of butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

The InChIKey is HJAPHKOSHSDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O2.C4H6O4/c31-24-9-7-23(28(32)17-24)16-30(36)35(19-21-4-3-15-33-18-21)26-11-13-27(14-12-26)37-20-25-10-8-22-5-1-2-6-29(22)34-25;5-3(6)1-2-4(7)8/h1-15,17-18H,16,19-20H2;1-2H2,(H,5,6)(H,7,8).

What are the key properties of butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?

butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 613.62 g/mol, XLogP of 6.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 67453557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).