3-chloro-N-quinolin-8-ylbenzamide

C16H11ClN2O — CID 952659

IUPAC3-chloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-13-7-1-5-12(10-13)16(20)19-14-8-2-4-11-6-3-9-18-15(11)14/h1-10H,(H,19,20)
InChIKeyUTFFJKXSBHGNHC-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 3-chloro-N-quinolin-8-ylbenzamide

3-chloro-N-quinolin-8-ylbenzamide (PubChem CID 952659) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-quinolin-8-ylbenzamide
PubChem CID952659
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name3-chloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-13-7-1-5-12(10-13)16(20)19-14-8-2-4-11-6-3-9-18-15(11)14/h1-10H,(H,19,20)
InChIKeyUTFFJKXSBHGNHC-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-chloro-N-quinolin-8-ylbenzamide (CID 952659) is 3-chloro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-chloro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-chloro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-quinolin-8-ylbenzamide?
The InChIKey is UTFFJKXSBHGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-7-1-5-12(10-13)16(20)19-14-8-2-4-11-6-3-9-18-15(11)14/h1-10H,(H,19,20).
What are the key properties of 3-chloro-N-quinolin-8-ylbenzamide?
3-chloro-N-quinolin-8-ylbenzamide has a molecular weight of 282.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 952659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).