2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide

C22H24Cl2N4O2 — CID 19592293

IUPAC2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C)cc12
InChIInChI=1S/C22H24Cl2N4O2/c1-13-9-15-20(26-8-7-25-2)14(12-30-3)11-27-21(15)18(10-13)28-22(29)19-16(23)5-4-6-17(19)24/h4-6,9-11,25H,7-8,12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyREOJCXRGSSTPKW-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.88
Rot. Bonds8

About 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide

2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (PubChem CID 19592293) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
PubChem CID19592293
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C)cc12
InChIInChI=1S/C22H24Cl2N4O2/c1-13-9-15-20(26-8-7-25-2)14(12-30-3)11-27-21(15)18(10-13)28-22(29)19-16(23)5-4-6-17(19)24/h4-6,9-11,25H,7-8,12H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyREOJCXRGSSTPKW-UHFFFAOYSA-N
XLogP4.88
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (CID 19592293) is 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is CNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cc(C)cc12.
What is the InChIKey of 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The InChIKey is REOJCXRGSSTPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-13-9-15-20(26-8-7-25-2)14(12-30-3)11-27-21(15)18(10-13)28-22(29)19-16(23)5-4-6-17(19)24/h4-6,9-11,25H,7-8,12H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide has a molecular weight of 447.37 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(methoxymethyl)-6-methyl-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is sourced from PubChem (CID 19592293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).