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

C23H14Cl4N2O2 — CID 139782456

IUPAC2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H14Cl4N2O2/c1-12-11-28-21-14(22(12)31-13-8-9-15(24)18(27)10-13)4-2-7-19(21)29-23(30)20-16(25)5-3-6-17(20)26/h2-11H,1H3,(H,29,30)
InChIKeyCVCRNHSUWVSNPM-UHFFFAOYSA-N
MW492.19 g/mol
LogP8.20
Rot. Bonds4

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

2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide (PubChem CID 139782456) has the molecular formula C23H14Cl4N2O2 and a molecular weight of 492.19 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
PubChem CID139782456
Molecular FormulaC23H14Cl4N2O2
Molecular Weight492.19 g/mol
Exact Mass489.98
IUPAC Name2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
SMILESCc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H14Cl4N2O2/c1-12-11-28-21-14(22(12)31-13-8-9-15(24)18(27)10-13)4-2-7-19(21)29-23(30)20-16(25)5-3-6-17(20)26/h2-11H,1H3,(H,29,30)
InChIKeyCVCRNHSUWVSNPM-UHFFFAOYSA-N
XLogP8.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)quinolin-8-yl]benzamide
CID 139782384
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
2,6-dichloro-N-[3-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]quinolin-8-yl]benzamide
CID 139782497
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
2,6-dichloro-N-[3-methyl-4-(4-phenylimidazol-1-yl)quinolin-8-yl]benzamide
CID 139782382
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinolin-8-yl]benzamide
CID 139782493
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
N-[3-bromo-4-(bromomethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592628
2,6-dichloro-N-[4-[(dimethylamino)methyl]-3-ethylquinolin-8-yl]benzamide
CID 19592923

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide (CID 139782456) is 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide is Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide?
The InChIKey is CVCRNHSUWVSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl4N2O2/c1-12-11-28-21-14(22(12)31-13-8-9-15(24)18(27)10-13)4-2-7-19(21)29-23(30)20-16(25)5-3-6-17(20)26/h2-11H,1H3,(H,29,30).
What are the key properties of 2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide?
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide has a molecular weight of 492.19 g/mol, XLogP of 8.20, 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-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide is sourced from PubChem (CID 139782456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).