2-chloro-N-quinolin-8-ylbenzamide

C16H11ClN2O — CID 792771

IUPAC2-chloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-8-2-1-7-12(13)16(20)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,20)
InChIKeyJCSMGKUUEBFEAK-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-N-quinolin-8-ylbenzamide

2-chloro-N-quinolin-8-ylbenzamide (PubChem CID 792771) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-quinolin-8-ylbenzamide
PubChem CID792771
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-chloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O/c17-13-8-2-1-7-12(13)16(20)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,20)
InChIKeyJCSMGKUUEBFEAK-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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Related Compounds

2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
CID 657038
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
FR-261529
CID 9993998
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
2,4-dichloro-N-(pyridin-3-yl)benzamide
CID 599595
1-(4-Chlorophenyl)-3-quinolin-8-ylurea
CID 699033
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-(2-aminophenyl)-4-[5-(azetidin-1-ylmethyl)-3-chloropyridin-2-yl]benzamide
CID 11603554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-chloro-N-quinolin-8-ylbenzamide (CID 792771) is 2-chloro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-chloro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-chloro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-quinolin-8-ylbenzamide?
The InChIKey is JCSMGKUUEBFEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-8-2-1-7-12(13)16(20)19-14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,20).
What are the key properties of 2-chloro-N-quinolin-8-ylbenzamide?
2-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 2-chloro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 792771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).