(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

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Related Compounds

(3-chloro-4-methylquinolin-2-yl)methyl 2-fluoro-5-sulfamoylbenzoate
CID 9487702
N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide
CID 9353803
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
(2-methyl-1,3-thiazol-4-yl)methyl 5-acetamido-2-fluorobenzoate
CID 154775171
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
CID 9405642
(3-chloro-4-methylquinolin-2-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8948698
ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8611562
(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985221
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
[2-(3,4-difluoroanilino)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825006
but-2-enyl 5-acetamido-2-fluorobenzoate
CID 76868997
(2,3,6-trimethylphenyl) 5-acetamido-2-fluorobenzoate
CID 60564471

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).