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

C21H22Cl2N4O2 — CID 19592308

IUPAC2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C21H22Cl2N4O2/c1-24-9-10-25-19-13(12-29-2)11-26-20-14(19)5-3-8-17(20)27-21(28)18-15(22)6-4-7-16(18)23/h3-8,11,24H,9-10,12H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyUNJDLXNTEVTLQE-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.57
Rot. Bonds8

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

2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (PubChem CID 19592308) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
PubChem CID19592308
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
SMILESCNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12
InChIInChI=1S/C21H22Cl2N4O2/c1-24-9-10-25-19-13(12-29-2)11-26-20-14(19)5-3-8-17(20)27-21(28)18-15(22)6-4-7-16(18)23/h3-8,11,24H,9-10,12H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyUNJDLXNTEVTLQE-UHFFFAOYSA-N
XLogP4.57
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-2-ethoxy-N-quinolin-3-ylacetamide
CID 127036258
2-(2,4-dichlorophenyl)-2-ethoxy-N-quinolin-8-ylacetamide
CID 127035448
2-(2,5-dichlorophenyl)-2-ethoxy-N-quinolin-8-ylacetamide
CID 127037215
2,6-Dichloro-N-(3-methyl-4-(3-methyl-2-oxo-1-imidazolidinyl)-8-quinolinyl)benzamide
CID 19592842
N-[4-chloro-3-(methoxymethyl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 19592708
N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 19592902
2,6-dichloro-N-[6-fluoro-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide
CID 19592924
2,6-dichloro-N-[4-[2-(methylamino)ethylamino]-6-(trifluoromethyl)quinolin-8-yl]benzamide
CID 19592936
2,6-dichloro-N-[4-[(3-fluorophenyl)carbamoylamino]-3-methylquinolin-8-yl]benzamide
CID 67599494
Ethyl 4-[2-amino-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl]-8-[(2,6-dichlorobenzoyl)amino]quinoline-3-carboxylate
CID 69817538
Ethyl 8-[(2,6-dichlorobenzoyl)amino]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoline-3-carboxylate
CID 69817539
Ethyl 2-amino-3-[(5-chloro-8-fluoroquinolin-4-yl)amino]benzoate
CID 134362760

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide (CID 19592308) is 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is CNCCNc1c(COC)cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc12.
What is the InChIKey of 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
The InChIKey is UNJDLXNTEVTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c1-24-9-10-25-19-13(12-29-2)11-26-20-14(19)5-3-8-17(20)27-21(28)18-15(22)6-4-7-16(18)23/h3-8,11,24H,9-10,12H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide?
2,6-dichloro-N-[3-(methoxymethyl)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide has a molecular weight of 433.34 g/mol, XLogP of 4.57, 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)-4-[2-(methylamino)ethylamino]quinolin-8-yl]benzamide is sourced from PubChem (CID 19592308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).