2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide

C20H20ClFN2O2 — CID 16927107

IUPAC2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCC(C)CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C20H20ClFN2O2/c1-12(2)11-24-17-8-7-14(10-13(17)6-9-18(24)25)23-20(26)19-15(21)4-3-5-16(19)22/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,23,26)
InChIKeyOQBQFLWIQJYART-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.67
Rot. Bonds4

About 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide

2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (PubChem CID 16927107) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
PubChem CID16927107
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
SMILESCC(C)CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21
InChIInChI=1S/C20H20ClFN2O2/c1-12(2)11-24-17-8-7-14(10-13(17)6-9-18(24)25)23-20(26)19-15(21)4-3-5-16(19)22/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,23,26)
InChIKeyOQBQFLWIQJYART-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide 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 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide (CID 16927107) is 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is CC(C)CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3Cl)ccc21.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
The InChIKey is OQBQFLWIQJYART-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-12(2)11-24-17-8-7-14(10-13(17)6-9-18(24)25)23-20(26)19-15(21)4-3-5-16(19)22/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide?
2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide has a molecular weight of 374.84 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide is sourced from PubChem (CID 16927107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).