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

C20H18Cl2N2O3 — CID 139782319

IUPAC2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
SMILESCOCCOc1cc(C)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C20H18Cl2N2O3/c1-12-11-17(27-10-9-26-2)13-5-3-8-16(19(13)23-12)24-20(25)18-14(21)6-4-7-15(18)22/h3-8,11H,9-10H2,1-2H3,(H,24,25)
InChIKeyOWKKLSAXEHOOPU-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.13
Rot. Bonds6

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

2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide (PubChem CID 139782319) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
PubChem CID139782319
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide
SMILESCOCCOc1cc(C)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C20H18Cl2N2O3/c1-12-11-17(27-10-9-26-2)13-5-3-8-16(19(13)23-12)24-20(25)18-14(21)6-4-7-15(18)22/h3-8,11H,9-10H2,1-2H3,(H,24,25)
InChIKeyOWKKLSAXEHOOPU-UHFFFAOYSA-N
XLogP5.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(4-imidazol-1-yl-2-methylquinolin-8-yl)benzamide
CID 139782597
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-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
2,6-dichloro-N-[4-(3,4-dichlorophenoxy)-3-methylquinolin-8-yl]benzamide
CID 139782456
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
2,6-dichloro-N-[2-(2-methoxyethyl)-3-oxo-1H-pyrrolo[3,4-c]quinolin-6-yl]benzamide
CID 19592849
N-[4-(2-aminoethylamino)-3-(methoxymethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592719
N-(4-acetyl-3-ethylquinolin-8-yl)-2,6-dichlorobenzamide
CID 19592898
2,6-dichloro-N-[3-(methoxymethyl)-4-pyrazol-1-ylquinolin-8-yl]benzamide
CID 19592781
methyl 4-[[8-[(2,6-dichlorobenzoyl)amino]-3-methylquinolin-4-yl]oxymethyl]benzoate
CID 139782616
2-(2,8-dimethylquinolin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 100828863

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide (CID 139782319) is 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide is COCCOc1cc(C)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide?
The InChIKey is OWKKLSAXEHOOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c1-12-11-17(27-10-9-26-2)13-5-3-8-16(19(13)23-12)24-20(25)18-14(21)6-4-7-15(18)22/h3-8,11H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide?
2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide has a molecular weight of 405.28 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-(2-methoxyethoxy)-2-methylquinolin-8-yl]benzamide is sourced from PubChem (CID 139782319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).