2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide

C17H11Cl3N2O — CID 19592406

IUPAC2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
SMILESCc1ccc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(Cl)c12
InChIInChI=1S/C17H11Cl3N2O/c1-9-5-6-13(16-14(9)12(20)7-8-21-16)22-17(23)15-10(18)3-2-4-11(15)19/h2-8H,1H3,(H,22,23)
InChIKeyDOHIAIQAJUTOAS-UHFFFAOYSA-N
MW365.65 g/mol
LogP5.76
Rot. Bonds2

About 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide

2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide (PubChem CID 19592406) has the molecular formula C17H11Cl3N2O and a molecular weight of 365.65 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
PubChem CID19592406
Molecular FormulaC17H11Cl3N2O
Molecular Weight365.65 g/mol
Exact Mass363.99
IUPAC Name2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
SMILESCc1ccc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(Cl)c12
InChIInChI=1S/C17H11Cl3N2O/c1-9-5-6-13(16-14(9)12(20)7-8-21-16)22-17(23)15-10(18)3-2-4-11(15)19/h2-8H,1H3,(H,22,23)
InChIKeyDOHIAIQAJUTOAS-UHFFFAOYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518
2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592429
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(4-chloro-3-pyridinyl)-2,6-dimethylbenzamide
CID 103769247

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide (CID 19592406) is 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide is Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)c2nccc(Cl)c12.
What is the InChIKey of 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide?
The InChIKey is DOHIAIQAJUTOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O/c1-9-5-6-13(16-14(9)12(20)7-8-21-16)22-17(23)15-10(18)3-2-4-11(15)19/h2-8H,1H3,(H,22,23).
What are the key properties of 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide?
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide has a molecular weight of 365.65 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide is sourced from PubChem (CID 19592406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).