2,4,6-trichloro-N-quinolin-8-ylbenzamide

C16H9Cl3N2O — CID 16759542

IUPAC2,4,6-trichloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2O/c17-10-7-11(18)14(12(19)8-10)16(22)21-13-5-1-3-9-4-2-6-20-15(9)13/h1-8H,(H,21,22)
InChIKeyULTWBIAMZCHAAC-UHFFFAOYSA-N
MW351.62 g/mol
LogP5.45
Rot. Bonds2

About 2,4,6-trichloro-N-quinolin-8-ylbenzamide

2,4,6-trichloro-N-quinolin-8-ylbenzamide (PubChem CID 16759542) has the molecular formula C16H9Cl3N2O and a molecular weight of 351.62 g/mol. Its IUPAC name is 2,4,6-trichloro-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-quinolin-8-ylbenzamide
PubChem CID16759542
Molecular FormulaC16H9Cl3N2O
Molecular Weight351.62 g/mol
Exact Mass349.98
IUPAC Name2,4,6-trichloro-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2O/c17-10-7-11(18)14(12(19)8-10)16(22)21-13-5-1-3-9-4-2-6-20-15(9)13/h1-8H,(H,21,22)
InChIKeyULTWBIAMZCHAAC-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
CID 657038
FR-261529
CID 9993998
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
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-chloro-N-(6-chloropyridin-3-yl)benzamide
CID 4314115
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347
N-(quinolin-6-yl)benzamide
CID 833617
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-quinolin-8-ylbenzamide?
The IUPAC name of 2,4,6-trichloro-N-quinolin-8-ylbenzamide (CID 16759542) is 2,4,6-trichloro-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2,4,6-trichloro-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2,4,6-trichloro-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-quinolin-8-ylbenzamide?
The InChIKey is ULTWBIAMZCHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O/c17-10-7-11(18)14(12(19)8-10)16(22)21-13-5-1-3-9-4-2-6-20-15(9)13/h1-8H,(H,21,22).
What are the key properties of 2,4,6-trichloro-N-quinolin-8-ylbenzamide?
2,4,6-trichloro-N-quinolin-8-ylbenzamide has a molecular weight of 351.62 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 16759542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).