2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide

C19H17Cl3N4O — CID 19592429

IUPAC2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(Cl)cc12
InChIInChI=1S/C19H17Cl3N4O/c1-23-7-8-24-15-5-6-25-18-12(15)9-11(20)10-16(18)26-19(27)17-13(21)3-2-4-14(17)22/h2-6,9-10,23H,7-8H2,1H3,(H,24,25)(H,26,27)
InChIKeyYOBZTWIOXFJYFX-UHFFFAOYSA-N
MW423.73 g/mol
LogP5.08
Rot. Bonds6

About 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide

2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (PubChem CID 19592429) has the molecular formula C19H17Cl3N4O and a molecular weight of 423.73 g/mol. Its IUPAC name is 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
PubChem CID19592429
Molecular FormulaC19H17Cl3N4O
Molecular Weight423.73 g/mol
Exact Mass422.05
IUPAC Name2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(Cl)cc12
InChIInChI=1S/C19H17Cl3N4O/c1-23-7-8-24-15-5-6-25-18-12(15)9-11(20)10-16(18)26-19(27)17-13(21)3-2-4-14(17)22/h2-6,9-10,23H,7-8H2,1H3,(H,24,25)(H,26,27)
InChIKeyYOBZTWIOXFJYFX-UHFFFAOYSA-N
XLogP5.08
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminopropylamino)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592896
2,6-dichloro-N-(4-chloro-6-methylquinolin-8-yl)benzamide
CID 19592532
2,6-dichloro-N-(4-chloro-5-methylquinolin-8-yl)benzamide
CID 19592406
N-[4-(2-acetyl-2-methylhydrazinyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592886
N-[4-(2-acetylhydrazinyl)-6-(trifluoromethyl)quinolin-8-yl]-2,6-dichlorobenzamide
CID 19592393
N-(5-bromoquinolin-8-yl)-2,6-dichlorobenzamide
CID 35286890
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,6-dichloro-N-[4-[methoxy(methyl)amino]quinolin-8-yl]benzamide
CID 19592665
2,6-dichloro-N-[3-methyl-4-[2-(propylamino)ethylamino]quinolin-8-yl]benzamide
CID 139782357
2,6-dichloro-N-[4-[2-[(E)-3-phenylprop-2-enoyl]hydrazinyl]quinolin-8-yl]benzamide
CID 19592675
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
2,6-dichloro-N-[6-fluoro-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]benzamide
CID 19592694

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (CID 19592429) is 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is CNCCNc1ccnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(Cl)cc12.
What is the InChIKey of 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The InChIKey is YOBZTWIOXFJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N4O/c1-23-7-8-24-15-5-6-25-18-12(15)9-11(20)10-16(18)26-19(27)17-13(21)3-2-4-14(17)22/h2-6,9-10,23H,7-8H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide has a molecular weight of 423.73 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[6-chloro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is sourced from PubChem (CID 19592429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).