7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane

C18H11ClF2N2O — CID 170750036

IUPAC7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane
SMILESC.N#Cc1c(C(=O)c2cc(F)ccc2Cl)c(F)cc2cccnc12
InChIInChI=1S/C17H7ClF2N2O.CH4/c18-13-4-3-10(19)7-11(13)17(23)15-12(8-21)16-9(6-14(15)20)2-1-5-22-16;/h1-7H;1H4
InChIKeyMUWRNZOOHWFYFI-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.91
Rot. Bonds2

About 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane

7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane (PubChem CID 170750036) has the molecular formula C18H11ClF2N2O and a molecular weight of 344.75 g/mol. Its IUPAC name is 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane.

Molecular Properties

Compound Name7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane
PubChem CID170750036
Molecular FormulaC18H11ClF2N2O
Molecular Weight344.75 g/mol
Exact Mass344.05
IUPAC Name7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane
SMILESC.N#Cc1c(C(=O)c2cc(F)ccc2Cl)c(F)cc2cccnc12
InChIInChI=1S/C17H7ClF2N2O.CH4/c18-13-4-3-10(19)7-11(13)17(23)15-12(8-21)16-9(6-14(15)20)2-1-5-22-16;/h1-7H;1H4
InChIKeyMUWRNZOOHWFYFI-UHFFFAOYSA-N
XLogP4.91
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane?
The IUPAC name of 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane (CID 170750036) is 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane.
What is the SMILES notation for 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane?
The canonical SMILES for 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane is C.N#Cc1c(C(=O)c2cc(F)ccc2Cl)c(F)cc2cccnc12.
What is the InChIKey of 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane?
The InChIKey is MUWRNZOOHWFYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7ClF2N2O.CH4/c18-13-4-3-10(19)7-11(13)17(23)15-12(8-21)16-9(6-14(15)20)2-1-5-22-16;/h1-7H;1H4.
What are the key properties of 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane?
7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane has a molecular weight of 344.75 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluorobenzoyl)-6-fluoroquinoline-8-carbonitrile;methane is sourced from PubChem (CID 170750036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).