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

C24H19Cl2FN2O2 — CID 72720561

IUPAC4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCC1CCc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H19Cl2FN2O2/c1-13-5-6-15-11-14(17-12-16(23(28)30)7-9-18(17)25)8-10-21(15)29(13)24(31)22-19(26)3-2-4-20(22)27/h2-4,7-13H,5-6H2,1H3,(H2,28,30)
InChIKeyPEXFKQPHYOPFPY-UHFFFAOYSA-N
MW457.33 g/mol
LogP5.88
Rot. Bonds3

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

4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 72720561) has the molecular formula C24H19Cl2FN2O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID72720561
Molecular FormulaC24H19Cl2FN2O2
Molecular Weight457.33 g/mol
Exact Mass456.08
IUPAC Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCC1CCc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C24H19Cl2FN2O2/c1-13-5-6-15-11-14(17-12-16(23(28)30)7-9-18(17)25)8-10-21(15)29(13)24(31)22-19(26)3-2-4-20(22)27/h2-4,7-13H,5-6H2,1H3,(H2,28,30)
InChIKeyPEXFKQPHYOPFPY-UHFFFAOYSA-N
XLogP5.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide with MolForge

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 601096
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
N-[4-(5-carbamoyl-2-chlorophenyl)-2-ethylphenyl]-2-chloro-N-ethyl-6-fluorobenzamide
CID 90078107
5-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-2-fluorobenzamide
CID 72721993
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
(4-chloro-3-nitrophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2933461
N-[5-(5-carbamoyl-2-chlorophenyl)-3-(cyclopropylmethylsulfanyl)-2-pyridinyl]-2-chloro-6-fluoro-N-methylbenzamide
CID 123318396
4-chloro-3-[6-[1-(2-chloro-6-fluorophenyl)ethenyl-methylamino]-5-(3-methoxypropoxy)-3-pyridinyl]benzamide
CID 90078071
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
CID 4079910
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 72720561) is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide is CC1CCc2cc(-c3cc(C(N)=O)ccc3Cl)ccc2N1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is PEXFKQPHYOPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O2/c1-13-5-6-15-11-14(17-12-16(23(28)30)7-9-18(17)25)8-10-21(15)29(13)24(31)22-19(26)3-2-4-20(22)27/h2-4,7-13H,5-6H2,1H3,(H2,28,30).
What are the key properties of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide?
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 457.33 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 72720561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).