N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide

C20H16Cl2N2O2 — CID 19592898

IUPACN-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)=O
InChIInChI=1S/C20H16Cl2N2O2/c1-3-12-10-23-19-13(17(12)11(2)25)6-4-9-16(19)24-20(26)18-14(21)7-5-8-15(18)22/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyXOFIXHGTQFAMTR-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.56
Rot. Bonds4

About N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide

N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide (PubChem CID 19592898) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
PubChem CID19592898
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC NameN-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
SMILESCCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)=O
InChIInChI=1S/C20H16Cl2N2O2/c1-3-12-10-23-19-13(17(12)11(2)25)6-4-9-16(19)24-20(26)18-14(21)7-5-8-15(18)22/h4-10H,3H2,1-2H3,(H,24,26)
InChIKeyXOFIXHGTQFAMTR-UHFFFAOYSA-N
XLogP5.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
N-[4-[(E)-3-amino-3-oxoprop-1-enyl]-3-ethylquinolin-8-yl]-2,6-dichlorobenzamide
CID 19593036
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592597
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[(dimethylamino)methyl]quinoline-3-carboxylate
CID 19592589
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide?
The IUPAC name of N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide (CID 19592898) is N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide is CCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)=O.
What is the InChIKey of N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide?
The InChIKey is XOFIXHGTQFAMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-3-12-10-23-19-13(17(12)11(2)25)6-4-9-16(19)24-20(26)18-14(21)7-5-8-15(18)22/h4-10H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide?
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide has a molecular weight of 387.27 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide is sourced from PubChem (CID 19592898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).