methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate

C26H20ClN3O4 — CID 42397349

IUPACmethyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3ncccc3c2)cc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C26H20ClN3O4/c1-34-26(33)19-11-16(12-20(14-19)30-25(32)21-6-2-3-7-22(21)27)15-29-24(31)18-8-9-23-17(13-18)5-4-10-28-23/h2-14H,15H2,1H3,(H,29,31)(H,30,32)
InChIKeyAGCPQEGNEGYWMB-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.86
Rot. Bonds6

About methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate

methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate (PubChem CID 42397349) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate
PubChem CID42397349
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC Namemethyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3ncccc3c2)cc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C26H20ClN3O4/c1-34-26(33)19-11-16(12-20(14-19)30-25(32)21-6-2-3-7-22(21)27)15-29-24(31)18-8-9-23-17(13-18)5-4-10-28-23/h2-14H,15H2,1H3,(H,29,31)(H,30,32)
InChIKeyAGCPQEGNEGYWMB-UHFFFAOYSA-N
XLogP4.86
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate?
The IUPAC name of methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate (CID 42397349) is methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate.
What is the SMILES notation for methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate?
The canonical SMILES for methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate is COC(=O)c1cc(CNC(=O)c2ccc3ncccc3c2)cc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate?
The InChIKey is AGCPQEGNEGYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O4/c1-34-26(33)19-11-16(12-20(14-19)30-25(32)21-6-2-3-7-22(21)27)15-29-24(31)18-8-9-23-17(13-18)5-4-10-28-23/h2-14H,15H2,1H3,(H,29,31)(H,30,32).
What are the key properties of methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate?
methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate has a molecular weight of 473.92 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chlorobenzoyl)amino]-5-[(quinoline-6-carbonylamino)methyl]benzoate is sourced from PubChem (CID 42397349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).