(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate

C20H16ClFN2O3 — CID 71887345

IUPAC(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate
SMILESCC(=O)Nc1ccc(F)c(C(=O)OCc2nc3ccccc3c(C)c2Cl)c1
InChIInChI=1S/C20H16ClFN2O3/c1-11-14-5-3-4-6-17(14)24-18(19(11)21)10-27-20(26)15-9-13(23-12(2)25)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,25)
InChIKeyFOZJRNOKTLHSLZ-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.65
Rot. Bonds4

About (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate

(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate (PubChem CID 71887345) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate.

Molecular Properties

Compound Name(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate
PubChem CID71887345
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC Name(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate
SMILESCC(=O)Nc1ccc(F)c(C(=O)OCc2nc3ccccc3c(C)c2Cl)c1
InChIInChI=1S/C20H16ClFN2O3/c1-11-14-5-3-4-6-17(14)24-18(19(11)21)10-27-20(26)15-9-13(23-12(2)25)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,25)
InChIKeyFOZJRNOKTLHSLZ-UHFFFAOYSA-N
XLogP4.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate 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 (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate?
The IUPAC name of (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate (CID 71887345) is (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate.
What is the SMILES notation for (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate?
The canonical SMILES for (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate is CC(=O)Nc1ccc(F)c(C(=O)OCc2nc3ccccc3c(C)c2Cl)c1.
What is the InChIKey of (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate?
The InChIKey is FOZJRNOKTLHSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c1-11-14-5-3-4-6-17(14)24-18(19(11)21)10-27-20(26)15-9-13(23-12(2)25)7-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,25).
What are the key properties of (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate?
(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate has a molecular weight of 386.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate is sourced from PubChem (CID 71887345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).