[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate

C30H24FN3O3 — CID 122196416

IUPAC[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C30H24FN3O3/c1-34(2)30(35)37-28-18-17-26(29(33-28)22-7-12-23(31)13-8-22)20-10-15-25(16-11-20)36-19-24-14-9-21-5-3-4-6-27(21)32-24/h3-18H,19H2,1-2H3
InChIKeySJEAOALLTZYELN-UHFFFAOYSA-N
MW493.54 g/mol
LogP6.74
Rot. Bonds6

About [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate

[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate (PubChem CID 122196416) has the molecular formula C30H24FN3O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate
PubChem CID122196416
Molecular FormulaC30H24FN3O3
Molecular Weight493.54 g/mol
Exact Mass493.18
IUPAC Name[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C30H24FN3O3/c1-34(2)30(35)37-28-18-17-26(29(33-28)22-7-12-23(31)13-8-22)20-10-15-25(16-11-20)36-19-24-14-9-21-5-3-4-6-27(21)32-24/h3-18H,19H2,1-2H3
InChIKeySJEAOALLTZYELN-UHFFFAOYSA-N
XLogP6.74
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate?
The IUPAC name of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate (CID 122196416) is [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate.
What is the SMILES notation for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate?
The canonical SMILES for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate?
The InChIKey is SJEAOALLTZYELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O3/c1-34(2)30(35)37-28-18-17-26(29(33-28)22-7-12-23(31)13-8-22)20-10-15-25(16-11-20)36-19-24-14-9-21-5-3-4-6-27(21)32-24/h3-18H,19H2,1-2H3.
What are the key properties of [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate?
[6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate has a molecular weight of 493.54 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122196416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).