methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate

C20H16Cl2N2O4 — CID 71077746

IUPACmethyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cc(CNC(=O)c3cccc(Cl)c3)c2nc1OC
InChIInChI=1S/C20H16Cl2N2O4/c1-27-19-16(20(26)28-2)9-12-7-15(22)8-13(17(12)24-19)10-23-18(25)11-4-3-5-14(21)6-11/h3-9H,10H2,1-2H3,(H,23,25)
InChIKeyGSHUIBAFDZINIU-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.27
Rot. Bonds5

About methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate

methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate (PubChem CID 71077746) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate
PubChem CID71077746
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Namemethyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cc2cc(Cl)cc(CNC(=O)c3cccc(Cl)c3)c2nc1OC
InChIInChI=1S/C20H16Cl2N2O4/c1-27-19-16(20(26)28-2)9-12-7-15(22)8-13(17(12)24-19)10-23-18(25)11-4-3-5-14(21)6-11/h3-9H,10H2,1-2H3,(H,23,25)
InChIKeyGSHUIBAFDZINIU-UHFFFAOYSA-N
XLogP4.27
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate with MolForge

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Related Compounds

methyl 6-chloro-2-methoxy-8-[[(2-methoxybenzoyl)amino]methyl]quinoline-3-carboxylate
CID 71077628
3-[(6-chloro-2-methoxy-3-methoxycarbonylquinolin-8-yl)methylamino]-3-oxopropanoic acid
CID 71077327
methyl 6-chloro-2-methoxy-8-[(2-phenylpropanoylamino)methyl]quinoline-3-carboxylate
CID 71077365
methyl 6-chloro-2-methoxy-8-[[[2-(2-phenoxyphenyl)acetyl]amino]methyl]quinoline-3-carboxylate
CID 71077137
methyl 6-chloro-8-[[[2-(4-fluoro-2-methylphenyl)acetyl]amino]methyl]-2-methoxyquinoline-3-carboxylate
CID 71077502
methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate
CID 71077473
3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
CID 25218348
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536049
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 99994482

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate?
The IUPAC name of methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate (CID 71077746) is methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate is COC(=O)c1cc2cc(Cl)cc(CNC(=O)c3cccc(Cl)c3)c2nc1OC.
What is the InChIKey of methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate?
The InChIKey is GSHUIBAFDZINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c1-27-19-16(20(26)28-2)9-12-7-15(22)8-13(17(12)24-19)10-23-18(25)11-4-3-5-14(21)6-11/h3-9H,10H2,1-2H3,(H,23,25).
What are the key properties of methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate?
methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate has a molecular weight of 419.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-8-[[(3-chlorobenzoyl)amino]methyl]-2-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 71077746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).