benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate

C32H26N2O4 — CID 69277610

IUPACbenzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate
SMILESCCOc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C32H26N2O4/c1-2-37-26-16-12-23(13-17-26)27-10-6-7-11-28(27)31(35)34-30-19-15-24-20-25(14-18-29(24)33-30)32(36)38-21-22-8-4-3-5-9-22/h3-20H,2,21H2,1H3,(H,33,34,35)
InChIKeyMOXIKVBQEIUIEN-UHFFFAOYSA-N
MW502.57 g/mol
LogP6.91
Rot. Bonds8

About benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate

benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate (PubChem CID 69277610) has the molecular formula C32H26N2O4 and a molecular weight of 502.57 g/mol. Its IUPAC name is benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate
PubChem CID69277610
Molecular FormulaC32H26N2O4
Molecular Weight502.57 g/mol
Exact Mass502.19
IUPAC Namebenzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate
SMILESCCOc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1
InChIInChI=1S/C32H26N2O4/c1-2-37-26-16-12-23(13-17-26)27-10-6-7-11-28(27)31(35)34-30-19-15-24-20-25(14-18-29(24)33-30)32(36)38-21-22-8-4-3-5-9-22/h3-20H,2,21H2,1H3,(H,33,34,35)
InChIKeyMOXIKVBQEIUIEN-UHFFFAOYSA-N
XLogP6.91
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate?
The IUPAC name of benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate (CID 69277610) is benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate?
The canonical SMILES for benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate is CCOc1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)OCc4ccccc4)ccc3n2)cc1.
What is the InChIKey of benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate?
The InChIKey is MOXIKVBQEIUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O4/c1-2-37-26-16-12-23(13-17-26)27-10-6-7-11-28(27)31(35)34-30-19-15-24-20-25(14-18-29(24)33-30)32(36)38-21-22-8-4-3-5-9-22/h3-20H,2,21H2,1H3,(H,33,34,35).
What are the key properties of benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate?
benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate has a molecular weight of 502.57 g/mol, XLogP of 6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(4-ethoxyphenyl)benzoyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 69277610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).