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

C24H19Cl2FN2O2 — CID 72720885

IUPAC4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C24H19Cl2FN2O2/c1-28-23(30)16-7-9-18(25)17(13-16)14-8-10-21-15(12-14)4-3-11-29(21)24(31)22-19(26)5-2-6-20(22)27/h2,5-10,12-13H,3-4,11H2,1H3,(H,28,30)
InChIKeyNWECRSKQCPBSPW-UHFFFAOYSA-N
MW457.33 g/mol
LogP5.75
Rot. Bonds3

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

4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide (PubChem CID 72720885) 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)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide
PubChem CID72720885
Molecular FormulaC24H19Cl2FN2O2
Molecular Weight457.33 g/mol
Exact Mass456.08
IUPAC Name4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C24H19Cl2FN2O2/c1-28-23(30)16-7-9-18(25)17(13-16)14-8-10-21-15(12-14)4-3-11-29(21)24(31)22-19(26)5-2-6-20(22)27/h2,5-10,12-13H,3-4,11H2,1H3,(H,28,30)
InChIKeyNWECRSKQCPBSPW-UHFFFAOYSA-N
XLogP5.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.33
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide (CID 72720885) is 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(-c2ccc3c(c2)CCCN3C(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide?
The InChIKey is NWECRSKQCPBSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O2/c1-28-23(30)16-7-9-18(25)17(13-16)14-8-10-21-15(12-14)4-3-11-29(21)24(31)22-19(26)5-2-6-20(22)27/h2,5-10,12-13H,3-4,11H2,1H3,(H,28,30).
What are the key properties of 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide?
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide has a molecular weight of 457.33 g/mol, XLogP of 5.75, 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)-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide is sourced from PubChem (CID 72720885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).