2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide

C23H18N2O2 — CID 46376165

IUPAC2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H18N2O2/c1-27-22-9-5-3-7-19(22)23(26)24-18-13-10-17(11-14-18)21-15-12-16-6-2-4-8-20(16)25-21/h2-15H,1H3,(H,24,26)
InChIKeyQEADXVNJLRQCQD-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.16
Rot. Bonds4

About 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide

2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide (PubChem CID 46376165) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
PubChem CID46376165
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H18N2O2/c1-27-22-9-5-3-7-19(22)23(26)24-18-13-10-17(11-14-18)21-15-12-16-6-2-4-8-20(16)25-21/h2-15H,1H3,(H,24,26)
InChIKeyQEADXVNJLRQCQD-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
The IUPAC name of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide (CID 46376165) is 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide is COc1ccccc1C(=O)Nc1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
The InChIKey is QEADXVNJLRQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-22-9-5-3-7-19(22)23(26)24-18-13-10-17(11-14-18)21-15-12-16-6-2-4-8-20(16)25-21/h2-15H,1H3,(H,24,26).
What are the key properties of 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide?
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide is sourced from PubChem (CID 46376165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).