N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide

C22H15ClN2O — CID 138982985

IUPACN-(4-chlorophenyl)-N-quinolin-8-ylbenzamide
SMILESO=C(c1ccccc1)N(c1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H15ClN2O/c23-18-11-13-19(14-12-18)25(22(26)17-6-2-1-3-7-17)20-10-4-8-16-9-5-15-24-21(16)20/h1-15H
InChIKeyIIXKWNOLSADHOD-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.87
Rot. Bonds3

About N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide

N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide (PubChem CID 138982985) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-quinolin-8-ylbenzamide
PubChem CID138982985
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC NameN-(4-chlorophenyl)-N-quinolin-8-ylbenzamide
SMILESO=C(c1ccccc1)N(c1ccc(Cl)cc1)c1cccc2cccnc12
InChIInChI=1S/C22H15ClN2O/c23-18-11-13-19(14-12-18)25(22(26)17-6-2-1-3-7-17)20-10-4-8-16-9-5-15-24-21(16)20/h1-15H
InChIKeyIIXKWNOLSADHOD-UHFFFAOYSA-N
XLogP5.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide (CID 138982985) is N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide is O=C(c1ccccc1)N(c1ccc(Cl)cc1)c1cccc2cccnc12.
What is the InChIKey of N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide?
The InChIKey is IIXKWNOLSADHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-11-13-19(14-12-18)25(22(26)17-6-2-1-3-7-17)20-10-4-8-16-9-5-15-24-21(16)20/h1-15H.
What are the key properties of N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide?
N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide has a molecular weight of 358.83 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 138982985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).