2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide

C17H12F2N2O2 — CID 59402735

IUPAC2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
SMILESNC(=O)c1c(F)ccc(OCc2ccc3cccnc3c2)c1F
InChIInChI=1S/C17H12F2N2O2/c18-12-5-6-14(16(19)15(12)17(20)22)23-9-10-3-4-11-2-1-7-21-13(11)8-10/h1-8H,9H2,(H2,20,22)
InChIKeySTMPFEQDJAITLH-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.19
Rot. Bonds4

About 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide

2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide (PubChem CID 59402735) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
PubChem CID59402735
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
SMILESNC(=O)c1c(F)ccc(OCc2ccc3cccnc3c2)c1F
InChIInChI=1S/C17H12F2N2O2/c18-12-5-6-14(16(19)15(12)17(20)22)23-9-10-3-4-11-2-1-7-21-13(11)8-10/h1-8H,9H2,(H2,20,22)
InChIKeySTMPFEQDJAITLH-UHFFFAOYSA-N
XLogP3.19
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide?
The IUPAC name of 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide (CID 59402735) is 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide?
The canonical SMILES for 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide is NC(=O)c1c(F)ccc(OCc2ccc3cccnc3c2)c1F.
What is the InChIKey of 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide?
The InChIKey is STMPFEQDJAITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-12-5-6-14(16(19)15(12)17(20)22)23-9-10-3-4-11-2-1-7-21-13(11)8-10/h1-8H,9H2,(H2,20,22).
What are the key properties of 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide?
2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide has a molecular weight of 314.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide is sourced from PubChem (CID 59402735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).