2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide

C19H15Cl3N2O2 — CID 19592296

IUPAC2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(C)c2c1Cl
InChIInChI=1S/C19H15Cl3N2O2/c1-10-6-7-14(18-15(10)17(22)11(8-23-18)9-26-2)24-19(25)16-12(20)4-3-5-13(16)21/h3-8H,9H2,1-2H3,(H,24,25)
InChIKeyGUSSMYPDSDOTOJ-UHFFFAOYSA-N
MW409.70 g/mol
LogP5.90
Rot. Bonds4

About 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide

2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide (PubChem CID 19592296) has the molecular formula C19H15Cl3N2O2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide
PubChem CID19592296
Molecular FormulaC19H15Cl3N2O2
Molecular Weight409.70 g/mol
Exact Mass408.02
IUPAC Name2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide
SMILESCOCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(C)c2c1Cl
InChIInChI=1S/C19H15Cl3N2O2/c1-10-6-7-14(18-15(10)17(22)11(8-23-18)9-26-2)24-19(25)16-12(20)4-3-5-13(16)21/h3-8H,9H2,1-2H3,(H,24,25)
InChIKeyGUSSMYPDSDOTOJ-UHFFFAOYSA-N
XLogP5.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide (CID 19592296) is 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide is COCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)ccc(C)c2c1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide?
The InChIKey is GUSSMYPDSDOTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O2/c1-10-6-7-14(18-15(10)17(22)11(8-23-18)9-26-2)24-19(25)16-12(20)4-3-5-13(16)21/h3-8H,9H2,1-2H3,(H,24,25).
What are the key properties of 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide?
2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide has a molecular weight of 409.70 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-chloro-3-(methoxymethyl)-5-methylquinolin-8-yl]benzamide is sourced from PubChem (CID 19592296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).