4-phenylmethoxy-N-quinolin-5-ylbenzamide

C23H18N2O2 — CID 1017989

IUPAC4-phenylmethoxy-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c26-23(25-22-10-4-9-21-20(22)8-5-15-24-21)18-11-13-19(14-12-18)27-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26)
InChIKeyYNGPZQPOASHIEW-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.07
Rot. Bonds5

About 4-phenylmethoxy-N-quinolin-5-ylbenzamide

4-phenylmethoxy-N-quinolin-5-ylbenzamide (PubChem CID 1017989) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-phenylmethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-quinolin-5-ylbenzamide
PubChem CID1017989
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-phenylmethoxy-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c26-23(25-22-10-4-9-21-20(22)8-5-15-24-21)18-11-13-19(14-12-18)27-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26)
InChIKeyYNGPZQPOASHIEW-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-phenylmethoxy-N-quinolin-5-ylbenzamide (CID 1017989) is 4-phenylmethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-phenylmethoxy-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is YNGPZQPOASHIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-23(25-22-10-4-9-21-20(22)8-5-15-24-21)18-11-13-19(14-12-18)27-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26).
What are the key properties of 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
4-phenylmethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 1017989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).