4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide

C23H18Cl2FN3O2 — CID 72720564

IUPAC4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide
SMILESCN1CCN(C(=O)c2c(F)cccc2Cl)c2ccc(-c3cc(C(N)=O)ccc3Cl)cc21
InChIInChI=1S/C23H18Cl2FN3O2/c1-28-9-10-29(23(31)21-17(25)3-2-4-18(21)26)19-8-6-13(12-20(19)28)15-11-14(22(27)30)5-7-16(15)24/h2-8,11-12H,9-10H2,1H3,(H2,27,30)
InChIKeyJJPUDJUOPWOGSQ-UHFFFAOYSA-N
MW458.32 g/mol
LogP4.99
Rot. Bonds3

About 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide

4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide (PubChem CID 72720564) has the molecular formula C23H18Cl2FN3O2 and a molecular weight of 458.32 g/mol. Its IUPAC name is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide
PubChem CID72720564
Molecular FormulaC23H18Cl2FN3O2
Molecular Weight458.32 g/mol
Exact Mass457.08
IUPAC Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide
SMILESCN1CCN(C(=O)c2c(F)cccc2Cl)c2ccc(-c3cc(C(N)=O)ccc3Cl)cc21
InChIInChI=1S/C23H18Cl2FN3O2/c1-28-9-10-29(23(31)21-17(25)3-2-4-18(21)26)19-8-6-13(12-20(19)28)15-11-14(22(27)30)5-7-16(15)24/h2-8,11-12H,9-10H2,1H3,(H2,27,30)
InChIKeyJJPUDJUOPWOGSQ-UHFFFAOYSA-N
XLogP4.99
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-3-[1-(2-Chloro-6-Fluorobenzoyl)-1,2,3,4-Tetrahydroquinolin-6-Yl]-N-Methylbenzamide
CID 72720885
4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
CID 142580447
3-chloro-N-[2-(3-methylbenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145964991
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]-3-methylbenzamide
CID 145971330
(2R)-2-[1-(3-chlorobenzoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-(4-fluorophenyl)propanamide
CID 164617677
4-(4-chlorophenyl)-N-[6-[(4-methylpiperazin-1-yl)methyl]-7,8-dihydronaphthalen-2-yl]benzamide
CID 21939902
3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-4-methylbenzamide
CID 72706017
4-Chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,3-dimethyl-2,4-dihydroquinolin-6-yl]benzamide
CID 72720562
4-Chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-7-yl]benzamide
CID 72720563
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 72720884
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-ethylbenzamide
CID 72720886
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 72720888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide?
The IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide (CID 72720564) is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide?
The canonical SMILES for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide is CN1CCN(C(=O)c2c(F)cccc2Cl)c2ccc(-c3cc(C(N)=O)ccc3Cl)cc21.
What is the InChIKey of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide?
The InChIKey is JJPUDJUOPWOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O2/c1-28-9-10-29(23(31)21-17(25)3-2-4-18(21)26)19-8-6-13(12-20(19)28)15-11-14(22(27)30)5-7-16(15)24/h2-8,11-12H,9-10H2,1H3,(H2,27,30).
What are the key properties of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide?
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide has a molecular weight of 458.32 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-4-methyl-2,3-dihydroquinoxalin-6-yl]benzamide is sourced from PubChem (CID 72720564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).