2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

C30H23F2N3O2 — CID 54575103

IUPAC2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1F)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C30H23F2N3O2/c31-27-7-3-8-28(32)26(27)17-30(36)35(19-21-5-4-16-33-18-21)24-12-14-25(15-13-24)37-20-23-11-10-22-6-1-2-9-29(22)34-23/h1-16,18H,17,19-20H2
InChIKeyLHYZYAABXUYVGV-UHFFFAOYSA-N
MW495.53 g/mol
LogP6.26
Rot. Bonds8

About 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (PubChem CID 54575103) has the molecular formula C30H23F2N3O2 and a molecular weight of 495.53 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
PubChem CID54575103
Molecular FormulaC30H23F2N3O2
Molecular Weight495.53 g/mol
Exact Mass495.18
IUPAC Name2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1F)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C30H23F2N3O2/c31-27-7-3-8-28(32)26(27)17-30(36)35(19-21-5-4-16-33-18-21)24-12-14-25(15-13-24)37-20-23-11-10-22-6-1-2-9-29(22)34-23/h1-16,18H,17,19-20H2
InChIKeyLHYZYAABXUYVGV-UHFFFAOYSA-N
XLogP6.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.53
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (CID 54575103) is 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is O=C(Cc1c(F)cccc1F)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
The InChIKey is LHYZYAABXUYVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O2/c31-27-7-3-8-28(32)26(27)17-30(36)35(19-21-5-4-16-33-18-21)24-12-14-25(15-13-24)37-20-23-11-10-22-6-1-2-9-29(22)34-23/h1-16,18H,17,19-20H2.
What are the key properties of 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 495.53 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54575103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).